Chemical Physics

Authors and titles for December 2022

[76] arXiv:2212.12462 (cross-list from physics.chem-ph) [cn-pdf, pdf, other]

Title: Extension of the Trotterized Unitary Coupled Cluster to Triple Excitations Show Chinese title

Title: Trotter化单重耦合簇方法在三重激发的扩展

Mohammad Haidar, Marko J. Rančić, Yvon Maday, Jean-Philip Piquemal

Journal-ref: J. Phys. Chem. A, 2023, 127, 15, 3543-3550

Subjects: Chemical Physics (physics.chem-ph) ; Quantum Physics (quant-ph)

[77] arXiv:2212.12676 (cross-list from physics.chem-ph) [cn-pdf, pdf, other]

Title: Using thermal interface resistance for non-invasive operando mapping of buried interfacial lithium morphology in-solid state batteries Show Chinese title

Title: 利用热界面电阻对固态电池中埋藏的界面锂形态进行非侵入式原位映射

Divya Chalise, Robert Jonson, Joseph Schaadt, Pallab Barai, Yuqiang Zeng, Sumanjeet Kaur, Sean D. Lubner, Venkat Srinivasan, Michael C. Tucker, Ravi S. Prasher

Subjects: Chemical Physics (physics.chem-ph)

[78] arXiv:2212.12694 (cross-list from physics.chem-ph) [cn-pdf, pdf, other]

Title: Detecting dynamic domains and local fluctuations in complex molecular systems via timelapse neighbors shuffling Show Chinese title

Title: 通过时间间隔邻居洗牌检测复杂分子系统中的动态域和局部波动

Martina Crippa, Annalisa Cardellini, Cristina Caruso, Giovanni M. Pavan

Subjects: Chemical Physics (physics.chem-ph)

[79] arXiv:2212.12727 (cross-list from physics.chem-ph) [cn-pdf, pdf, other]

Title: Density-potential inversion from Moreau-Yosida regularization Show Chinese title

Title: 从Moreau-Yosida正则化进行密度-势能反演

Markus Penz, Mihály A. Csirik, Andre Laestadius

Journal-ref: Electron. Struct. 5, 014009 (2023)

Subjects: Chemical Physics (physics.chem-ph) ; Quantum Physics (quant-ph)

[80] arXiv:2212.12730 (cross-list from physics.chem-ph) [cn-pdf, pdf, other]

Title: Place & Play SERS: sample collection and preparation-free surface-enhanced Raman spectroscopy Show Chinese title

Title: 放置与播放SERS：无需样品收集和制备的表面增强拉曼光谱

Yasutaka Kitahama, Pablo Martinez Pancorbo, Hiroki Segawa, Machiko Marumi, Ting-Hui Xiao, Kotaro Hiramatsu, William Yang, Keisuke Goda

Comments: 12 pages, 7 figures

Subjects: Chemical Physics (physics.chem-ph)

[81] arXiv:2212.12737 (cross-list from physics.chem-ph) [cn-pdf, pdf, other]

Title: Reconstructing Kernel-based Machine Learning Force Fields with Super-linear Convergence Show Chinese title

Title: 基于核的机器学习力场的超线性收敛重建

Stefan Blücher, Klaus-Robert Müller, Stefan Chmiela

Comments: Improving readablity and presenetation of manuscript. 18 pages, 12 figures, preprint

Journal-ref: Journal of Chemical Theory and Computation (2023)

Subjects: Chemical Physics (physics.chem-ph) ; Machine Learning (cs.LG) ; Computational Physics (physics.comp-ph) ; Machine Learning (stat.ML)

[82] arXiv:2212.12875 (cross-list from physics.chem-ph) [cn-pdf, pdf, other]

Title: Femtosecond Symmetry Breaking and Coherent Relaxation of Methane Cations at the Carbon K-Edge Show Chinese title

Title: 飞秒碳K边甲烷阳离子的对称性破缺与相干弛豫

Enrico Ridente, Diptarka Hait, Eric A. Haugen, Andrew D. Ross, Daniel M. Neumark, Martin Head-Gordon, Stephen R. Leone

Journal-ref: Science 380,713-717(2023)

Subjects: Chemical Physics (physics.chem-ph) ; Quantum Physics (quant-ph)

[83] arXiv:2212.12883 (cross-list from physics.chem-ph) [cn-pdf, pdf, other]

Title: Corresponding Active Orbital Spaces along Chemical Reaction Paths Show Chinese title

Title: 化学反应路径上的对应活性轨道空间

Moritz Bensberg, Markus Reiher

Comments: 18 pages, 5 figures

Journal-ref: J. Phys. Chem. Lett. 14 (2023) 2112-2118

Subjects: Chemical Physics (physics.chem-ph) ; Strongly Correlated Electrons (cond-mat.str-el) ; Computational Physics (physics.comp-ph)

[84] arXiv:2212.12994 (cross-list from physics.chem-ph) [cn-pdf, pdf, other]

Title: Hydrogen isotope separation using graphene-based membranes in liquid water Show Chinese title

Title: 基于石墨烯膜的液态水中氢同位素分离

Xiangrui Zhang, Hequn Wang, Tiantian Xiao, Xiaoyi Chen, Wen Li, Yihan Xu, Jianlong Lin, Zhe Wang, Hailin Peng, Sheng Zhang

Comments: 10 pages, 4 figures (6pages, 6figures for SI)

Subjects: Chemical Physics (physics.chem-ph) ; Materials Science (cond-mat.mtrl-sci)

[85] arXiv:2212.13016 (cross-list from physics.chem-ph) [cn-pdf, pdf, other]

Title: Rapid Scan White Light Pump-Probe Spectroscopy with 100 kHz Shot-to-Shot Detection Show Chinese title

Title: 快速扫描白光泵浦-探测光谱学与100 kHz逐脉冲检测

Vivek N. Bhat, Asha S. Thomas, Vivek Tiwari

Subjects: Chemical Physics (physics.chem-ph) ; Optics (physics.optics)

[86] arXiv:2212.13374 (cross-list from physics.chem-ph) [cn-pdf, pdf, other]

Title: Molecular Perspectives of Interfacial Properties in the Water+Hydrogen System in Contact with Silica or Kerogen Show Chinese title

Title: 水+氢系统在与二氧化硅或有机质接触时界面性质的分子视角

Yafan Yang, Arun Kumar Narayanan Nair, Weiwei Zhu, Shuxun Sang, Shuyu Sun

Subjects: Chemical Physics (physics.chem-ph)

[87] arXiv:2212.13506 (cross-list from physics.chem-ph) [cn-pdf, pdf, other]

Title: Rovibrational Polaritons in Gas-Phase Methane Show Chinese title

Title: 气相甲烷中的振转极化子

Adam D. Wright, Jane C. Nelson, Marissa L. Weichman

Journal-ref: J. Am. Chem. Soc. 145, 5982 (2023)

Subjects: Chemical Physics (physics.chem-ph) ; Quantum Physics (quant-ph)

[88] arXiv:2212.13566 (cross-list from physics.chem-ph) [cn-pdf, pdf, other]

Title: Molecular scale ion separation driven by surface roughness and ion size asymmetry: new analytical solutions for differential capacitance of EDL Show Chinese title

Title: 分子尺度离子分离由表面粗糙度和离子尺寸不对称性驱动：EDL差分电容的新解析解

Aleksey Khlyupin, Irina Nesterova, Kirill Gerke

Comments: 17 pages, 12 figures

Subjects: Chemical Physics (physics.chem-ph)

[89] arXiv:2212.14135 (cross-list from physics.chem-ph) [cn-pdf, pdf, other]

Title: Concentration-Flux-Steered Mechanism Exploration with an Organocatalysis Application Show Chinese title

Title: 基于有机催化应用的浓度-通量导向机制探索

Moritz Bensberg, Markus Reiher

Comments: 36 pages, 10 figures

Journal-ref: Isr. J. Chem. 63 (2023) e202200123

Subjects: Chemical Physics (physics.chem-ph) ; Computational Physics (physics.comp-ph)

[90] arXiv:2212.14178 (cross-list from physics.chem-ph) [cn-pdf, pdf, other]

Title: Theoretical examination of QED Hamiltonian and negative-energy orbitals in relativistic molecular orbital theory Show Chinese title

Title: 相对论分子轨道理论中QED哈密顿量和负能轨道的理论考察

Nobuki Inoue, Yoshihiro Watanabe, Haruyuki Nakano

Comments: 39 pages, 6 figures

Subjects: Chemical Physics (physics.chem-ph)

[91] arXiv:2212.14196 (cross-list from physics.chem-ph) [cn-pdf, pdf, other]

Title: Polaritonic Huang-Rhys Factor: Basic Concepts and Quantifying Light-Matter Interaction in Medium Show Chinese title

Title: 极化子 Huang-Rhys 因子：基本概念及中等介质中光-物质相互作用的量化

Yu-Chen Wei, Liang-Yan Hsu

Subjects: Chemical Physics (physics.chem-ph)

[92] arXiv:2212.14369 (cross-list from physics.chem-ph) [cn-pdf, pdf, other]

Title: Comparison of Density-Matrix Corrections to Density Functional Theory Show Chinese title

Title: 密度矩阵修正与密度泛函理论的比较

Daniel Gibney, Jan-Niklas Boyn, David A. Mazziotti

Journal-ref: J. Chem. Theory Comp. 18, 6600-6607 (2022)

Subjects: Chemical Physics (physics.chem-ph) ; Computational Physics (physics.comp-ph) ; Quantum Physics (quant-ph)

[93] arXiv:2212.14503 (cross-list from physics.chem-ph) [cn-pdf, pdf, other]

Title: Accurate reduced models for the pH oscillations in the urea-urease reaction confined to giant lipid vesicles Show Chinese title

Title: 尿素-脲酶反应在巨型脂质囊泡中pH振荡的精确简化模型

Arthur V. Straube, Stefanie Winkelmann, Felix Höfling

Comments: submitted J. Phys. Chem. B

Journal-ref: J. Phys. Chem. B 127, 2955 (2023)

Subjects: Chemical Physics (physics.chem-ph) ; Soft Condensed Matter (cond-mat.soft) ; Pattern Formation and Solitons (nlin.PS)

[94] arXiv:2212.14549 (cross-list from physics.chem-ph) [cn-pdf, pdf, html, other]

Title: Proper Orthogonal Descriptors for Multi-element Chemical Systems Show Chinese title

Title: 多元素化学系统的本征正交描述符

Ngoc-Cuong Nguyen

Comments: 39 pages, 9 figures, 7 tables. arXiv admin note: text overlap with arXiv:2209.02362

Subjects: Chemical Physics (physics.chem-ph) ; Materials Science (cond-mat.mtrl-sci)

[95] arXiv:2212.14699 (cross-list from physics.chem-ph) [cn-pdf, pdf, other]

Title: Modified noise kernels in Gaussian process modelling of energy surfaces Show Chinese title

Title: 高斯过程建模中的修改噪声核函数

Fabio E. A. Albertani, Alex J. W. Thom

Comments: 6 pages, 8 figures

Subjects: Chemical Physics (physics.chem-ph)

[96] arXiv:2212.00078 (cross-list from cond-mat.soft) [cn-pdf, pdf, other]

Title: How to derive a predictive active field theory: a step-by-step tutorial Show Chinese title

Title: 如何推导预测性主动场理论：分步教程

Michael te Vrugt, Jens Bickmann, Raphael Wittkowski

Comments: 21 pages, 3 figures

Subjects: Soft Condensed Matter (cond-mat.soft) ; Materials Science (cond-mat.mtrl-sci) ; Statistical Mechanics (cond-mat.stat-mech) ; Chemical Physics (physics.chem-ph)

[97] arXiv:2212.01297 (cross-list from nlin.CD) [cn-pdf, pdf, other]

Title: From Turing patterns to chimera states in the 2D Brusselator model Show Chinese title

Title: 从图灵模式到二维布鲁塞尔模型中的嵌合状态

Astero Provata

Comments: 14 pages, 12 pages

Subjects: Chaotic Dynamics (nlin.CD) ; Pattern Formation and Solitons (nlin.PS) ; Chemical Physics (physics.chem-ph)

[98] arXiv:2212.01389 (cross-list from astro-ph.EP) [cn-pdf, pdf, other]

Title: Dynamics of the Great Oxidation Event from a 3D photochemical-climate model Show Chinese title

Title: 从三维光化学-气候模型看大氧化事件的动力学

Adam Yassin Jaziri, Benjamin Charnay, Franck Selsis, Jeremy Leconte, Franck Lefevre

Journal-ref: Clim. Past, 18, 2421-2447, 2022

Subjects: Earth and Planetary Astrophysics (astro-ph.EP) ; Atmospheric and Oceanic Physics (physics.ao-ph) ; Chemical Physics (physics.chem-ph)

[99] arXiv:2212.01429 (cross-list from cond-mat.mtrl-sci) [cn-pdf, pdf, other]

Title: High temperature equilibrium of 3D and 2D chalcogenide perovskites Show Chinese title

Title: 3D和2D硫属化物钙钛矿的高温平衡

Prakriti Kayastha, Devendra Tiwari, Adam Holland, Oliver S. Hutter, Ken Durose, Lucy D. Whalley, Giulia Longo

Subjects: Materials Science (cond-mat.mtrl-sci) ; Chemical Physics (physics.chem-ph)

[100] arXiv:2212.01482 (cross-list from cond-mat.mtrl-sci) [cn-pdf, pdf, other]

Title: PyQMC: an all-Python real-space quantum Monte Carlo module in PySCF Show Chinese title

Title: PyQMC：PySCF中的全Python实空间量子蒙特卡洛模块

William A. Wheeler, Shivesh Pathak, Kevin Kleiner, Shunyue Yuan, João N. B. Rodrigues, Cooper Lorsung, Kittithat Krongchon, Yueqing Chang, Yiqing Zhou, Brian Busemeyer, Kiel T. Williams, Alexander Muñoz, Chun Yu Chow, Lucas K. Wagner

Subjects: Materials Science (cond-mat.mtrl-sci) ; Chemical Physics (physics.chem-ph)

[101] arXiv:2212.01487 (cross-list from physics.atm-clus) [cn-pdf, pdf, other]

Title: Plasmonic Resonant Intercluster Coulombic Decay Show Chinese title

Title: 等离子体共振原子间库仑衰变

Rasheed Shaik, Hari R. Varma, Mohamed El-Amine Madjet, Fulu Zheng, Thomas Frauenheim, Himadri S. Chakraborty

Comments: 6 pages, 4 figures

Subjects: Atomic and Molecular Clusters (physics.atm-clus) ; Mesoscale and Nanoscale Physics (cond-mat.mes-hall) ; Atomic Physics (physics.atom-ph) ; Chemical Physics (physics.chem-ph) ; Computational Physics (physics.comp-ph)

[102] arXiv:2212.01673 (cross-list from physics.atom-ph) [cn-pdf, pdf, other]

Title: Rydberg Macrodimers: Diatomic molecules on the micrometer scale Show Chinese title

Title: 里德伯巨分子：微米尺度的双原子分子

Simon Hollerith, Johannes Zeiher

Comments: 17 pages, 12 figures

Journal-ref: The Journal of Physical Chemistry A (2023)

Subjects: Atomic Physics (physics.atom-ph) ; Quantum Gases (cond-mat.quant-gas) ; Chemical Physics (physics.chem-ph) ; Quantum Physics (quant-ph)

[103] arXiv:2212.01823 (cross-list from cond-mat.mtrl-sci) [cn-pdf, pdf, other]

Title: Quantum Monte Carlo method modeling supported metal catalysis: Ni(111) converting adsorbed formyl 'en route' to hydrogen Show Chinese title

Title: 量子蒙特卡洛方法模拟负载金属催化：Ni(111)将吸附的甲醛‘中途’转化为氢

Noëlie Duchamp, Chloé Feschet, Maria M. Tarragó, Philip E. Hoggan

Comments: arXiv admin note: substantial text overlap with arXiv:2202.00542, arXiv:2004.10565 MINOR UPDATE INCLUDING NEW RESULTS. 1(p 2 figures

Subjects: Materials Science (cond-mat.mtrl-sci) ; Chemical Physics (physics.chem-ph)

[104] arXiv:2212.02482 (cross-list from quant-ph) [cn-pdf, pdf, other]

Title: Orbital-optimized pair-correlated electron simulations on trapped-ion quantum computers Show Chinese title

Title: 轨道优化的束缚离子量子计算机上的电子对相关模拟

Luning Zhao, Joshua Goings, Kenneth Wright, Jason Nguyen, Jungsang Kim, Sonika Johri, Kyujin Shin, Woomin Kyoung, Johanna I. Fuks, June-Koo Kevin Rhee, Young Min Rhee

Subjects: Quantum Physics (quant-ph) ; Chemical Physics (physics.chem-ph)

[105] arXiv:2212.02828 (cross-list from physics.atom-ph) [cn-pdf, pdf, other]

Title: Tomography of Feshbach Resonance States Show Chinese title

Title: 费什巴赫共振态的断层扫描

Baruch Margulis, Karl P. Horn, Daniel M. Reich, Meenu Upadhyay, Nitzan Kahn, Arthur Christianen, Ad van der Avoird, Gerrit C. Groenenboom, Markus Meuwly, Christiane P. Koch, Edvardas Narevicius

Journal-ref: Science 380, 77-81 (2023)

Subjects: Atomic Physics (physics.atom-ph) ; Chemical Physics (physics.chem-ph)

[106] arXiv:2212.03005 (cross-list from quant-ph) [cn-pdf, pdf, other]

Title: Potential energy surfaces inference of both ground and excited state using hybrid quantum-classical neural network Show Chinese title

Title: 使用混合量子-经典神经网络推断基态和激发态的势能面

Yasutaka Nishida, Fumihiko Aiga

Comments: 19 pages, 9 figures

Subjects: Quantum Physics (quant-ph) ; Chemical Physics (physics.chem-ph)

[107] arXiv:2212.03065 (cross-list from cond-mat.quant-gas) [cn-pdf, pdf, other]

Title: Resonances in non-universal dipolar collisions Show Chinese title

Title: 非普遍偶极碰撞中的共振现象

Tijs Karman

Subjects: Quantum Gases (cond-mat.quant-gas) ; Atomic Physics (physics.atom-ph) ; Chemical Physics (physics.chem-ph)

[108] arXiv:2212.03202 (cross-list from q-bio.QM) [cn-pdf, pdf, other]

Title: Machine Learning Scoring Functions for Drug Discoveries from Experimental and Computer-Generated Protein-Ligand Structures: Towards Per-Target Scoring Functions Show Chinese title

Title: 用于从实验和计算机生成的蛋白质-配体结构中进行药物发现的机器学习评分函数：面向目标的评分函数

F. Pellicani, D. Dal Ben, A. Perali, S. Pilati

Comments: 22 pages, 8 figures

Journal-ref: Molecules 2023, 28, 1661

Subjects: Quantitative Methods (q-bio.QM) ; Disordered Systems and Neural Networks (cond-mat.dis-nn) ; Chemical Physics (physics.chem-ph)

[109] arXiv:2212.03535 (cross-list from cond-mat.mtrl-sci) [cn-pdf, pdf, other]

Title: Concentration behavior of liquidus temperatures and undercooling of Al-Cu-Co at normal pressure Show Chinese title

Title: Al-Cu-Co在常压下的液相线温度和过冷行为

Larisa V. Kamaeva, Elena N. Tsiok, Nikolay M. Chtchelkatchev

Comments: 11 pages, 4 figures

Subjects: Materials Science (cond-mat.mtrl-sci) ; Chemical Physics (physics.chem-ph)

[110] arXiv:2212.03996 (cross-list from cond-mat.soft) [cn-pdf, pdf, other]

Title: Controlling crystallization: What liquid structure and dynamics reveal about crystal nucleation mechanisms Show Chinese title

Title: 控制结晶：液态结构和动力学揭示晶体成核机制

Jutta Rogal, Grisell Díaz Leines

Subjects: Soft Condensed Matter (cond-mat.soft) ; Materials Science (cond-mat.mtrl-sci) ; Chemical Physics (physics.chem-ph)

[111] arXiv:2212.04322 (cross-list from cs.CR) [cn-pdf, pdf, other]

Title: Encrypted machine learning of molecular quantum properties Show Chinese title

Title: 加密的分子量子性质机器学习

Jan Weinreich, Guido Falk von Rudorff, O. Anatole von Lilienfeld

Subjects: Cryptography and Security (cs.CR) ; Materials Science (cond-mat.mtrl-sci) ; Machine Learning (cs.LG) ; Chemical Physics (physics.chem-ph)

[112] arXiv:2212.04404 (cross-list from cond-mat.mtrl-sci) [cn-pdf, pdf, other]

Title: The Effect of short-range order on the viscosity and crystallization of Al-Mg melts Show Chinese title

Title: 短程有序对Al-Mg熔体粘度和结晶的影响

Elizaveta A. Batalova, Larisa V. Kamaeva, Nikolay M. Chtchelkatchev

Comments: 8 pages, 4 figures

Subjects: Materials Science (cond-mat.mtrl-sci) ; Chemical Physics (physics.chem-ph) ; Computational Physics (physics.comp-ph)

[113] arXiv:2212.04409 (cross-list from cond-mat.mtrl-sci) [cn-pdf, pdf, other]

Title: Well-defined Cu$_2$O photocatalysts for solar fuels and chemicals Show Chinese title

Title: 用于太阳能燃料和化学品的定义明确的Cu$_2$O光催化剂

Sourav Rej, Matteo Bisetto, Alberto Naldoni, Paolo Fornasiero

Journal-ref: J. Mater. Chem. A, 2021, 9, 5915-5951

Subjects: Materials Science (cond-mat.mtrl-sci) ; Chemical Physics (physics.chem-ph)

[114] arXiv:2212.04410 (cross-list from cond-mat.mtrl-sci) [cn-pdf, pdf, other]

Title: Electrocatalytic CO$_2$ Reduction: Role of the Cross-Talk at Organic-Inorganic Interfaces Show Chinese title

Title: 电催化CO$_2$还原：有机-无机界面处的交叉作用角色

Michele Melchionna, Paolo Fornasiero, Maurizio Prato, Marcella Bonchio

Journal-ref: Energy Environ. Sci., 2021,14, 5816-5833

Subjects: Materials Science (cond-mat.mtrl-sci) ; Chemical Physics (physics.chem-ph)

[115] arXiv:2212.04465 (cross-list from physics.optics) [cn-pdf, pdf, other]

Title: Combined Structural and Plasmonic Enhancement of Nanometer-Thin Film Photocatalysis for Solar-Driven Wastewater Treatment Show Chinese title

Title: 纳米薄膜光催化在太阳能驱动废水处理中的联合结构与等离子体增强效应

Desislava Daskalova, Gonzalo Aguila Flores, Ulrich Plachetka, Michael Möller, Julia Wolters, Thomas Wintgens, Max C. Lemme

Comments: 36 pages

Journal-ref: ACS Applied Nano Materials, 6, 15204-15212, 2023

Subjects: Optics (physics.optics) ; Mesoscale and Nanoscale Physics (cond-mat.mes-hall) ; Chemical Physics (physics.chem-ph)

[116] arXiv:2212.04586 (cross-list from quant-ph) [cn-pdf, pdf, html, other]

Title: Basis set generation and optimization in the NISQ era with Quiqbox.jl Show Chinese title

Title: NISQ时代基于Quiqbox.jl的基组生成与优化

Weishi Wang, James D. Whitfield

Comments: 34 pages, 13 figures, 9 tables, 2 listings

Journal-ref: J. Chem. Theory Comput. 19, 22, 8032-8052 (2023)

Subjects: Quantum Physics (quant-ph) ; Materials Science (cond-mat.mtrl-sci) ; Chemical Physics (physics.chem-ph) ; Computational Physics (physics.comp-ph)

[117] arXiv:2212.04597 (cross-list from cond-mat.mtrl-sci) [cn-pdf, pdf, other]

Title: Modelling Surface Segregation in Compositionally Complex Alloys with Ab-Initio Accuracy Show Chinese title

Title: 用第一性原理精度建模成分复杂合金的表面偏析

Alberto Ferrari, Vadim Sotskov, Alexander V. Shapeev, Fritz Körmann

Comments: 9 pages, 5 figures, 2 tables

Subjects: Materials Science (cond-mat.mtrl-sci) ; Chemical Physics (physics.chem-ph)

[118] arXiv:2212.04811 (cross-list from cond-mat.mtrl-sci) [cn-pdf, pdf, other]

Title: Machine-learning Driven Synthesis of TiZrNbHfTaC5 High-Entropy Carbide Show Chinese title

Title: 基于机器学习的TiZrNbHfTaC5高熵碳化物合成

Alexander Ya. Pak, Vadim Sotskov, Arina A. Gumovskaya, Yuliya Z. Vassilyeva, Zhanar S. Bolatova, Yulia A. Kvashnina, Gennady Ya. Mamontov, Alexander V. Shapeev, Alexander G. Kvashnin

Comments: 16 pages, 8 figures

Subjects: Materials Science (cond-mat.mtrl-sci) ; Chemical Physics (physics.chem-ph)

[119] arXiv:2212.04901 (cross-list from physics.atom-ph) [cn-pdf, pdf, other]

Title: Dissociative Excitation of Acetylene Induced by Electron Impact: Excitation-emission Cross-sections Show Chinese title

Title: 乙炔在电子碰撞引起的离解激发：激发-发射截面

Juraj Országh, Marián Danko, Peter Čechvala, Štefan Matejčík

Journal-ref: The Astrophysical Journal, 841:17, 2017

Subjects: Atomic Physics (physics.atom-ph) ; Chemical Physics (physics.chem-ph) ; Plasma Physics (physics.plasm-ph)

[120] arXiv:2212.06024 (cross-list from cond-mat.soft) [cn-pdf, pdf, other]

Title: Circular motion subject to external alignment under active driving: nonlinear dynamics and the circle map Show Chinese title

Title: 受主动驱动下外部对齐作用的圆周运动：非线性动力学和圆映射

Andreas M. Menzel

Comments: 11 pages, 10 figures

Journal-ref: Phys. Rev. E 106, 064603 (2022)

Subjects: Soft Condensed Matter (cond-mat.soft) ; Statistical Mechanics (cond-mat.stat-mech) ; Chaotic Dynamics (nlin.CD) ; Biological Physics (physics.bio-ph) ; Chemical Physics (physics.chem-ph)

[121] arXiv:2212.06456 (cross-list from physics.atom-ph) [cn-pdf, pdf, other]

Title: Trapping and Ground-State Cooling of a Single H$_2^+$ Show Chinese title

Title: 捕获和基态冷却单个H$_2^+$

N. Schwegler, D. Holzapfel, M. Stadler, A. Mitjans, I. Sergachev, J. P. Home, D. Kienzler

Journal-ref: Phys. Rev. Lett. 131, 133003 (2023)

Subjects: Atomic Physics (physics.atom-ph) ; Chemical Physics (physics.chem-ph) ; Quantum Physics (quant-ph)

[122] arXiv:2212.06597 (cross-list from cond-mat.mtrl-sci) [cn-pdf, pdf, other]

Title: Design guidelines for two-dimensional transition metal dichalcogenide alloys Show Chinese title

Title: 二维过渡金属二硫属化合物合金的设计指南

Andrea Silva, Jiangming Cao, Tomas Polcar, Denis Kramer

Comments: arXiv admin note: substantial text overlap with arXiv:2207.02741

Subjects: Materials Science (cond-mat.mtrl-sci) ; Mesoscale and Nanoscale Physics (cond-mat.mes-hall) ; Applied Physics (physics.app-ph) ; Chemical Physics (physics.chem-ph)

[123] arXiv:2212.08225 (cross-list from stat.ML) [cn-pdf, pdf, other]

Title: Materials Discovery using Max K-Armed Bandit Show Chinese title

Title: 使用最大K-臂老虎机的材料发现

Nobuaki Kikkawa, Hiroshi Ohno

Journal-ref: J.Mach.Learn.Res. 25(100) (2024) 1-40

Subjects: Machine Learning (stat.ML) ; Machine Learning (cs.LG) ; Chemical Physics (physics.chem-ph)

[124] arXiv:2212.08284 (cross-list from math.NA) [cn-pdf, pdf, other]

Title: ANKH: A Generalized O(N) Interpolated Ewald Strategy for Molecular Dynamics Simulations Show Chinese title

Title: ANKH：一种用于分子动力学模拟的广义O(N)插值Ewald策略

Igor Chollet, Louis Lagardère, Jean-Philip Piquemal

Journal-ref: J. Chem. Theory Comput. 2023, 19, 10, 2887-2905

Subjects: Numerical Analysis (math.NA) ; Chemical Physics (physics.chem-ph)

[125] arXiv:2212.08530 (cross-list from cond-mat.soft) [cn-pdf, pdf, other]

Title: Weak Interactions in Dimethyl Sulfoxide (DMSO) -- Tertiary Amide Solutions: the Versatility of DMSO as a Solvent Show Chinese title

Title: 二甲基亚砜（DMSO）中的弱相互作用——三级酰胺溶液：二甲基亚砜作为溶剂的多功能性

Camilla Di Mino, Adam J. Clancy, Andrea Sella, Christopher A. Howard, Thomas F. Headen, Andrew G. Seel, Neal T. Skipper

Subjects: Soft Condensed Matter (cond-mat.soft) ; Chemical Physics (physics.chem-ph)

[126] arXiv:2212.08654 (cross-list from cond-mat.str-el) [cn-pdf, pdf, other]

Title: A Stable, Recursive Auxiliary Field Quantum Monte Carlo Algorithm in the Canonical Ensemble: Applications to Thermometry and the Hubbard Model Show Chinese title

Title: 正则系综中的稳定递归辅助场量子蒙特卡洛算法：热计和Hubbard模型的应用

Tong Shen, Hatem Barghathi, Jiangyong Yu, Adrian Del Maestro, Brenda Rubenstein

Comments: 14 pages, 7 figures, and Supplemental Information with key derivations. For associated data and code repository see: https://github.com/DelMaestroGroup/papers-code-CanEnsAFQMC

Journal-ref: Phys. Rev. E 107, 055302 (2023)

Subjects: Strongly Correlated Electrons (cond-mat.str-el) ; Nuclear Theory (nucl-th) ; Atomic Physics (physics.atom-ph) ; Chemical Physics (physics.chem-ph)

[127] arXiv:2212.08922 (cross-list from cond-mat.mtrl-sci) [cn-pdf, pdf, other]

Title: Direct synthesis and chemical vapor deposition of 2D carbide and nitride MXenes Show Chinese title

Title: 直接合成和二维碳化物和氮化物 MXenes 的化学气相沉积

Di Wang, Chenkun Zhou, Alexander S. Filatov, Wooje Cho, Francisco Lagunas, Mingzhan Wang, Suriyanarayanan Vaikuntanathan, Chong Liu, Rober F. Klie, Dmitri V. Talapin

Comments: 7 pages, 3 figures

Subjects: Materials Science (cond-mat.mtrl-sci) ; Chemical Physics (physics.chem-ph)

[128] arXiv:2212.08932 (cross-list from cond-mat.stat-mech) [cn-pdf, pdf, other]

Title: Equation of state of hard-disk fluids under single-file confinement Show Chinese title

Title: 硬盘流体在单通道限制下的状态方程

Ana M. Montero, Andrés Santos

Comments: 14 pages, 9 figures, 4 appendices; v3: minor changes

Journal-ref: J. Chem. Phys. 158, 154501 (2023)

Subjects: Statistical Mechanics (cond-mat.stat-mech) ; Soft Condensed Matter (cond-mat.soft) ; Chemical Physics (physics.chem-ph)

[129] arXiv:2212.09023 (cross-list from nlin.AO) [cn-pdf, pdf, other]

Title: Glycolytic Wave Patterns in a Simple Reaction-diffusion System with Inhomogeneous Influx: Dynamic Transitions Show Chinese title

Title: 非均匀流入的简单反应扩散系统中的糖酵解波模式：动态转变

Premashis Kumar, Gautam Gangopadhyay

Journal-ref: ChemPhysChem 2022, e202200643

Subjects: Adaptation and Self-Organizing Systems (nlin.AO) ; Chaotic Dynamics (nlin.CD) ; Pattern Formation and Solitons (nlin.PS) ; Biological Physics (physics.bio-ph) ; Chemical Physics (physics.chem-ph)

[130] arXiv:2212.09089 (cross-list from physics.optics) [cn-pdf, pdf, other]

Title: High-Resolution Spectroscopy in the 11.6-15 μm Range by a Quasi-cw Difference-Frequency-Generation Laser Source Show Chinese title

Title: 11.6-15微米范围内的高分辨率光谱学通过准连续波差频生成激光源

Ali Elkhazraji, Mohammad Khaled Shakfa, Marco Lamperti, Khaiyom Hakimov, Khalil Djebbi, Riccardo Gotti, Davide Gatti, Marco Marangoni, Aamir Farooq

Subjects: Optics (physics.optics) ; Chemical Physics (physics.chem-ph)

[131] arXiv:2212.09468 (cross-list from cond-mat.mtrl-sci) [cn-pdf, pdf, other]

Title: Electrochemical Doping in Ordered and Disordered Domains of Conjugated Polymers Show Chinese title

Title: 共轭聚合物有序和无序畴中的电化学掺杂

Priscila Cavassin, Isabelle Holzer, Demetra Tsokkou, Oliver Bardagot, Julien Réhault, Natalie Banerji

Subjects: Materials Science (cond-mat.mtrl-sci) ; Chemical Physics (physics.chem-ph)

[132] arXiv:2212.09545 (cross-list from cond-mat.soft) [cn-pdf, pdf, other]

Title: Anisotropic molecular diffusion in confinement I: Transport of small particles in potential and density gradients Show Chinese title

Title: 约束中的各向异性分子扩散 I：势能和密度梯度中小粒子的输运

Kevin Höllring (1), Andreas Baer (1), Nataša Vučemilović-Alagić (1 and 2), David M. Smith (2), Ana-Sunčana Smith (1 and 2) ((1) PULS Group, Institute for Theoretical Physics, IZNF, FAU Erlangen-Nürnberg, Erlangen, Germany, (2) Group of Computational Life Sciences, Department of Physical Chemistry, Ruđer Bošković Institute, Zagreb, Croatia)

Comments: 13 pages, 6 figures, submitted to JCIS, PDFLaTex; updated for submission to new Journal and split in two due to length; second accompanying publication: "Anisotropic molecular diffusion in confinement II: A model for structurally complex particles applied to transport in thin ionic liquid films" (both due to a split of arXiv:archive/2212.09545 )

Subjects: Soft Condensed Matter (cond-mat.soft) ; Materials Science (cond-mat.mtrl-sci) ; Statistical Mechanics (cond-mat.stat-mech) ; Chemical Physics (physics.chem-ph) ; Computational Physics (physics.comp-ph)

[133] arXiv:2212.09679 (cross-list from cond-mat.stat-mech) [cn-pdf, pdf, other]

Title: Supercooled liquids are Fickian yet non-Gaussian Show Chinese title

Title: 过冷液体是菲克型的但不是高斯型的

Francesco Rusciano, Raffaele Pastore, Francesco Greco

Subjects: Statistical Mechanics (cond-mat.stat-mech) ; Disordered Systems and Neural Networks (cond-mat.dis-nn) ; Soft Condensed Matter (cond-mat.soft) ; Chemical Physics (physics.chem-ph)

[134] arXiv:2212.10084 (cross-list from physics.optics) [cn-pdf, pdf, other]

Title: Photoacoustic phase-controlled Fourier-transform infrared spectroscopy Show Chinese title

Title: 光声相位控制傅里叶变换红外光谱学

Santeri Larnimaa, Mikhail Roiz, Markku Vainio

Subjects: Optics (physics.optics) ; Chemical Physics (physics.chem-ph) ; Instrumentation and Detectors (physics.ins-det)

[135] arXiv:2212.10160 (cross-list from cond-mat.mtrl-sci) [cn-pdf, pdf, other]

Title: Wafer-Scale Fabrication of Hierarchically Porous Silicon and Silica Glass by Active Nanoparticle-Assisted Chemical Etching and Pseudomorphic Thermal Oxidation Show Chinese title

Title: 通过活性纳米粒子辅助化学蚀刻和拟态热氧化实现分层多孔硅和二氧化硅玻璃的晶圆级制造

Stella Gries, Manuel Brinker, Berit Zeller-Plumhoff, Dagmar Rings, Tobias Krekeler, Imke Greving, Patrick Huber

Comments: 15 pages, 7 figures, 2 videos as ancillary files, accepted in the journal "Small" under DOI https://doi.org/10.1002/smll.202206842

Subjects: Materials Science (cond-mat.mtrl-sci) ; Mesoscale and Nanoscale Physics (cond-mat.mes-hall) ; Soft Condensed Matter (cond-mat.soft) ; Applied Physics (physics.app-ph) ; Chemical Physics (physics.chem-ph)

[136] arXiv:2212.10202 (cross-list from quant-ph) [cn-pdf, pdf, other]

Title: Instantons and the quantum bound to chaos Show Chinese title

Title: 瞬子与量子对混沌的限制

Vijay Ganesh Sadhasivam, Lars Meuser, David R. Reichman, Stuart C. Althorpe

Subjects: Quantum Physics (quant-ph) ; Chemical Physics (physics.chem-ph)

[137] arXiv:2212.10266 (cross-list from cond-mat.soft) [cn-pdf, pdf, other]

Title: Cooperative O-H$\cdotsπ$ and C-H$\cdots$O Hydrogen Bonding in Benzene-Methanol Solution: Strong Structures from Weak Interactions Show Chinese title

Title: 苯-甲醇溶液中O-H$\cdotsπ$和C-H$\cdots$O氢键的协同作用：弱相互作用中的强结构

Camilla Di Mino, Andrew G. Seel, Adam J. Clancy, Andrea Sella, Thomas F. Headen, Támas Földes, Edina Rosta, Neal T. Skipper

Subjects: Soft Condensed Matter (cond-mat.soft) ; Chemical Physics (physics.chem-ph)

[138] arXiv:2212.10396 (cross-list from astro-ph.GA) [cn-pdf, pdf, other]

Title: A computational analysis of the reaction of atomic oxygen O(3P) with acrylonitrile Show Chinese title

Title: 原子氧 O(3P) 与丙烯腈的反应计算分析

Luca Mancini, Emília Valença Ferreira de Aragão

Comments: 13 pages, 4 figures. Preprint version submitted to LNCS (Springer) ICCSA2021

Subjects: Astrophysics of Galaxies (astro-ph.GA) ; Chemical Physics (physics.chem-ph)

[139] arXiv:2212.10848 (cross-list from cond-mat.mtrl-sci) [cn-pdf, pdf, other]

Title: Electronic and phonon contributions to the Thermoelectric properties of newly discovered half-Heusler alloys XHfPb (X= Ni, Pd, and Pt) Show Chinese title

Title: 新发现的半赫斯勒合金XHfPb（X= Ni，Pd，和Pt）的热电性能的电子和声子贡献

Paul O. Adebambo, Gboyega A. Adebayo, Roberto Guerra, Davide Ceresoli

Comments: 19 pages, 6 figures, 4 tables

Subjects: Materials Science (cond-mat.mtrl-sci) ; Chemical Physics (physics.chem-ph) ; Computational Physics (physics.comp-ph)

[140] arXiv:2212.11198 (cross-list from quant-ph) [cn-pdf, pdf, other]

Title: Synergetic quantum error mitigation by randomized compiling and zero-noise extrapolation for the variational quantum eigensolver Show Chinese title

Title: 变分量子本征求解器的随机编译和零噪声外推协同量子误差缓解

Tomochika Kurita, Hammam Qassim, Masatoshi Ishii, Hirotaka Oshima, Shintaro Sato, Joseph Emerson

Comments: 26 pages, 21 figures

Journal-ref: Quantum 7, 1184 (2023)

Subjects: Quantum Physics (quant-ph) ; Chemical Physics (physics.chem-ph)

[141] arXiv:2212.11208 (cross-list from cond-mat.soft) [cn-pdf, pdf, other]

Title: A heuristic approach for the densest packing fraction of hard-sphere mixtures Show Chinese title

Title: 硬球混合物的最密堆积分数的启发式方法

Andrés Santos, Mariano López de Haro

Comments: 6 pages, 1 figure; v2: a few references added

Journal-ref: Physica A 612, 128485 (2023)

Subjects: Soft Condensed Matter (cond-mat.soft) ; Other Condensed Matter (cond-mat.other) ; Chemical Physics (physics.chem-ph)

[142] arXiv:2212.11246 (cross-list from physics.comp-ph) [cn-pdf, pdf, html, other]

Title: Material Property Prediction using Graphs based on Generically Complete Isometry Invariants Show Chinese title

Title: 基于通用完全等距不变量的图材料属性预测

Jonathan Balasingham, Viktor Zamaraev, Vitaliy Kurlin

Comments: 8 pages, 5 tables, 5 figures (4 single column, 1 double column)

Journal-ref: Integrating Materials and Manufacturing Innovation, 1-14 (2024)

Subjects: Computational Physics (physics.comp-ph) ; Machine Learning (cs.LG) ; Chemical Physics (physics.chem-ph)

[143] arXiv:2212.11293 (cross-list from cond-mat.mtrl-sci) [cn-pdf, pdf, other]

Title: Stability and strength of monolayer polymeric C$_{60}$ Show Chinese title

Title: 单层聚合物C的稳定性和强度$_{60}$

Bo Peng

Comments: 8 pages, 3 figures (accepted by Nano Letters)

Journal-ref: Nano Lett. 2023, 23, 2, 652-658

Subjects: Materials Science (cond-mat.mtrl-sci) ; Mesoscale and Nanoscale Physics (cond-mat.mes-hall) ; Chemical Physics (physics.chem-ph) ; Computational Physics (physics.comp-ph)

[144] arXiv:2212.11312 (cross-list from astro-ph.GA) [cn-pdf, pdf, other]

Title: Long-Range Complex in the HC3N + CN Potential Energy Surface: Ab Initio Calculations and Intermolecular Potential Show Chinese title

Title: 高碳炔腈与氰基的势能面上的长程复杂结构：从头算计算和分子间势能

Emília Valença Ferreira de Aragão, Luca Mancini, Noelia Faginas-Lago, Marzio Rosi, Nadia Balucani, Fernando Pirani

Comments: 13 pages, 5 figures. Preprint version submitted to LNCS (Springer) ICCSA2021

Journal-ref: ICCSA 2021. Lecture Notes in Computer Science, vol 12958. Springer, Cham., p. 413-425

Subjects: Astrophysics of Galaxies (astro-ph.GA) ; Chemical Physics (physics.chem-ph)

[145] arXiv:2212.11378 (cross-list from cond-mat.mtrl-sci) [cn-pdf, pdf, other]

Title: Post-Synthetic Treatment of Nickel-Iron Layered Double Hydroxides for the Optimum Catalysis of the Oxygen Evolution Reaction Show Chinese title

Title: 镍-铁层状双氢氧化物的后合成处理用于氧气释放反应的最佳催化

Daire Tyndall, Sonia Jaskaniec, Brian Shortall, Ahin Roy, Lee Gannon, Katie ONeill, Michelle P. Browne, Joao Coelho, Cormac McGuinness, Georg S. Duesberg, Valeria Nicolosi

Journal-ref: npj 2D Mater Appl 5, 73 (2021)

Subjects: Materials Science (cond-mat.mtrl-sci) ; Chemical Physics (physics.chem-ph)

[146] arXiv:2212.11405 (cross-list from quant-ph) [cn-pdf, pdf, other]

Title: A self-consistent field approach for the variational quantum eigensolver: orbital optimization goes adaptive Show Chinese title

Title: 变分量子本征求解器的自洽场方法：轨道优化变得自适应

Aaron Fitzpatrick, Anton Nykänen, N. Walter Talarico, Alessandro Lunghi, Sabrina Maniscalco, Guillermo García-Pérez, Stefan Knecht

Comments: 21 pages, 5 figures

Subjects: Quantum Physics (quant-ph) ; Chemical Physics (physics.chem-ph)

[147] arXiv:2212.11678 (cross-list from cond-mat.mtrl-sci) [cn-pdf, pdf, other]

Title: Nanostructuring Strategies for Silicon-based Anodes in Lithium-ion Batteries: Tuning Areal Silicon Loading, SEI Formation/Irreversible Capacity Loss, Rate Capability Retention and Electrode Durability Show Chinese title

Title: 硅基负极的纳米结构策略：调节面密度硅负载、SEI形成/不可逆容量损失、倍率能力保持和电极耐久性

Mariam Ezzedine, Fatme Jardali, Ileana Florea, Mihai-robert Zamfir, Costel-sorin Cojocaru (LPICM)

Comments: Batteries & Supercaps, 2022

Subjects: Materials Science (cond-mat.mtrl-sci) ; Chemical Physics (physics.chem-ph)

[148] arXiv:2212.11863 (cross-list from physics.atom-ph) [cn-pdf, pdf, other]

Title: Laser Cooling of Trapped Ions in Strongly Inhomogeneous Magnetic Fields Show Chinese title

Title: 在强不均匀磁场中被捕获离子的激光冷却

Richard Karl, Yanning Yin, Stefan Willitsch

Subjects: Atomic Physics (physics.atom-ph) ; Chemical Physics (physics.chem-ph)

[149] arXiv:2212.11946 (cross-list from cond-mat.soft) [cn-pdf, pdf, other]

Title: A Coarse-Grained Simulation Model for Self-Assembly of Liquid Droplets Featuring Explicit Mobile Binders Show Chinese title

Title: 一种具有显式移动结合体的液滴自组装粗粒度模拟模型

Gaurav Mitra, Chuan Chang, Angus McMullen, Daniela Puchall, Jasna Brujic, Glen M. Hocky

Comments: 14 pages + 11 pages SI. 10 figures + 9 supplemental figures + 6 supplemental tables

Journal-ref: Soft Matter 2023

Subjects: Soft Condensed Matter (cond-mat.soft) ; Statistical Mechanics (cond-mat.stat-mech) ; Chemical Physics (physics.chem-ph)

[150] arXiv:2212.12074 (cross-list from cond-mat.stat-mech) [cn-pdf, pdf, other]

Title: Universal thermodynamic bounds on symmetry breaking in biochemical systems Show Chinese title

Title: 生化系统中对称性破缺的普遍热力学界限

Shiling Liang, Paolo De Los Rios, Daniel Maria Busiello

Journal-ref: Phys. Rev. Lett. 132, 228402 (2024)

Subjects: Statistical Mechanics (cond-mat.stat-mech) ; Pattern Formation and Solitons (nlin.PS) ; Biological Physics (physics.bio-ph) ; Chemical Physics (physics.chem-ph)

[151] arXiv:2212.12201 (cross-list from cond-mat.soft) [cn-pdf, pdf, other]

Title: Delocalized Electronic Excitations and their Role in Directional Charge Transfer in the Reaction Center of Rhodobacter Sphaeroides Show Chinese title

Title: 反应中心中非定域电子激发及其在定向电荷转移中的作用

Sabrina Volpert, Zohreh Hashemi, Johannes M. Foerster, Mario R. G. Marques, Ingo Schelter, Stephan Kümmel, Linn Leppert

Subjects: Soft Condensed Matter (cond-mat.soft) ; Biological Physics (physics.bio-ph) ; Chemical Physics (physics.chem-ph) ; Computational Physics (physics.comp-ph)

[152] arXiv:2212.12220 (cross-list from quant-ph) [cn-pdf, pdf, other]

Title: Quantum Computing for Molecular Biology Show Chinese title

Title: 量子计算在分子生物学中的应用

Alberto Baiardi, Matthias Christandl, Markus Reiher

Comments: 76 pages, 7 figures

Journal-ref: ChemBioChem 24 (2023) e202300120

Subjects: Quantum Physics (quant-ph) ; Strongly Correlated Electrons (cond-mat.str-el) ; Biological Physics (physics.bio-ph) ; Chemical Physics (physics.chem-ph) ; Computational Physics (physics.comp-ph)

[153] arXiv:2212.12486 (cross-list from cond-mat.mtrl-sci) [cn-pdf, pdf, other]

Title: A Variational Approach to Assess Reaction Coordinates for Two-Step Crystallisation Show Chinese title

Title: 一种变分方法用于评估两步结晶的反应坐标

Aaron R. Finney, Matteo Salvalaglio

Subjects: Materials Science (cond-mat.mtrl-sci) ; Chemical Physics (physics.chem-ph)

[154] arXiv:2212.12503 (cross-list from math.AP) [cn-pdf, pdf, other]

Title: On the wellposedness for a fuel cell problem Show Chinese title

Title: 关于燃料电池问题的适定性

Luisa Consiglieri

Comments: 25 pages, 2 figures

Journal-ref: Rev. Un. Mat. Argentina 68, 1 (2025), 103-129

Subjects: Analysis of PDEs (math.AP) ; Chemical Physics (physics.chem-ph)

[155] arXiv:2212.12562 (cross-list from cond-mat.soft) [cn-pdf, pdf, html, other]

Title: Pressure anisotropy in polymer brushes and its effects on wetting Show Chinese title

Title: 聚合物刷中的压力各向异性及其对润湿的影响

Lars B. Veldscholte, Jacco H. Snoeijer, Wouter K. den Otter, Sissi de Beer

Subjects: Soft Condensed Matter (cond-mat.soft) ; Chemical Physics (physics.chem-ph) ; Computational Physics (physics.comp-ph)

[156] arXiv:2212.12746 (cross-list from cond-mat.stat-mech) [cn-pdf, pdf, other]

Title: Universal Relation between Entropy and Kinetics Show Chinese title

Title: 熵与动力学之间的普遍关系

Benjamin Sorkin, Haim Diamant, Gil Ariel

Comments: 20 pages, 6 figures

Journal-ref: Phys. Rev. Lett. 131, 147101 (2023)

Subjects: Statistical Mechanics (cond-mat.stat-mech) ; Chemical Physics (physics.chem-ph)

[157] arXiv:2212.12788 (cross-list from math.NA) [cn-pdf, pdf, other]

Title: Analysis of the Single Reference Coupled Cluster Method for Electronic Structure Calculations: The Full Coupled Cluster Equations Show Chinese title

Title: 单参考耦合簇方法用于电子结构计算的分析：全耦合簇方程

Muhammad Hassan, Yvon Maday, Yipeng Wang

Comments: Second draft; 42 Pages

Subjects: Numerical Analysis (math.NA) ; Atomic Physics (physics.atom-ph) ; Chemical Physics (physics.chem-ph) ; Quantum Physics (quant-ph)

[158] arXiv:2212.12826 (cross-list from quant-ph) [cn-pdf, pdf, other]

Title: Extending the coherence time of spin defects in hBN enables advanced qubit control and quantum sensing Show Chinese title

Title: 延长hBN中自旋缺陷的相干时间可实现先进的量子比特控制和量子传感

Roberto Rizzato, Martin Schalk, Stephan Mohr, Joachim P. Leibold, Jens C. Hermann, Fleming Bruckmaier, Peirui Ji, Georgy V. Astakhov, Ulrich Kentsch, Manfred Helm, Andreas V. Stier, Jonathan J. Finley, Dominik B. Bucher

Subjects: Quantum Physics (quant-ph) ; Mesoscale and Nanoscale Physics (cond-mat.mes-hall) ; Materials Science (cond-mat.mtrl-sci) ; Applied Physics (physics.app-ph) ; Chemical Physics (physics.chem-ph)

[159] arXiv:2212.12894 (cross-list from cond-mat.soft) [cn-pdf, pdf, other]

Title: A charge dependent long-ranged force drives tailored assembly of matter in solution Show Chinese title

Title: 电荷依赖的长程力驱动溶液中物质的定向组装

Sida Wang, Rowan Walker-Gibbons, Bethany Watkins, Melissa Flynn, Madhavi Krishnan

Comments: 20 pages, 6 figures

Subjects: Soft Condensed Matter (cond-mat.soft) ; Biological Physics (physics.bio-ph) ; Chemical Physics (physics.chem-ph)

[160] arXiv:2212.13117 (cross-list from physics.gen-ph) [cn-pdf, pdf, other]

Title: Quantum Nonlocality and Biological Coherence Show Chinese title

Title: 量子非定域性与生物相干性

S.N. Mayburov

Comments: To be published in 'Ultra-Weak Photon Emission from Biological Systems: Endogenous Biophotonics and Intrinsic Bioluminescence' ed. I. Volodiaev and R. van Wijk ; Springer, Berlin, 2023. arXiv admin note: substantial text overlap with arXiv:2206.02553, arXiv:2211.03520

Subjects: General Physics (physics.gen-ph) ; Biological Physics (physics.bio-ph) ; Chemical Physics (physics.chem-ph)

[161] arXiv:2212.13254 (cross-list from cond-mat.mtrl-sci) [cn-pdf, pdf, other]

Title: Modeling high-entropy transition-metal alloys with alchemical compression Show Chinese title

Title: 用化学压缩建模高熵过渡金属合金

Nataliya Lopanitsyna, Guillaume Fraux, Maximilian A. Springer, Sandip De, Michele Ceriotti

Subjects: Materials Science (cond-mat.mtrl-sci) ; Chemical Physics (physics.chem-ph)

[162] arXiv:2212.13273 (cross-list from cond-mat.soft) [cn-pdf, pdf, other]

Title: Discontinuous metric programming in liquid crystalline elastomers Show Chinese title

Title: 液晶弹性体中的不连续度量规划

Tayler S. Hebner, Riley G.A. Bowman, Daniel Duffy, Cyrus Mostajeran, Itay Griniasty, Itai Cohen, Mark Warner, Christopher N. Bowman, Timothy J. White

Subjects: Soft Condensed Matter (cond-mat.soft) ; Chemical Physics (physics.chem-ph)

[163] arXiv:2212.13377 (cross-list from cond-mat.mes-hall) [cn-pdf, pdf, other]

Title: Control and enhancement of single-molecule electroluminescence through strong light-matter coupling Show Chinese title

Title: 通过强光-物质耦合控制和增强单分子电致发光

Kuniyuki Miwa, Souichi Sakamoto, Akihito Ishizaki

Subjects: Mesoscale and Nanoscale Physics (cond-mat.mes-hall) ; Chemical Physics (physics.chem-ph)

[164] arXiv:2212.13405 (cross-list from cond-mat.soft) [cn-pdf, pdf, other]

Title: The Process-Directed Self-Assembly of Block Copolymer Particles Show Chinese title

Title: 块共聚物粒子的过程导向自组装

Yanyan Zhu, Changhang Huang, Liangshun Zhang, David Andelman, Xingkun Man

Journal-ref: Macromol. Rapid Commun. 2023, 2300176

Subjects: Soft Condensed Matter (cond-mat.soft) ; Statistical Mechanics (cond-mat.stat-mech) ; Chemical Physics (physics.chem-ph)

[165] arXiv:2212.13690 (cross-list from quant-ph) [cn-pdf, pdf, other]

Title: Electronic-vibrational resonance does not alter steady-state transport in natural light-harvesting systems Show Chinese title

Title: 电子-振动共振不会改变天然光捕获系统中的稳态输运

Leonardo F. Calderón, Chern Chuang, Paul Brumer

Comments: 24 pages, 6 figures

Subjects: Quantum Physics (quant-ph) ; Biological Physics (physics.bio-ph) ; Chemical Physics (physics.chem-ph)

[166] arXiv:2212.14249 (cross-list from cond-mat.soft) [cn-pdf, pdf, other]

Title: Momentum-Resolved Sum-Frequency Vibrational Spectroscopy of Bonded Interface Layer at Charged Water Interfaces Show Chinese title

Title: 动量分辨的键合界面层在带电水界面的和频振动光谱学

Yao Hsiao, Ting-Han Chou, Animesh Patra, Yu-Chieh Wen

Subjects: Soft Condensed Matter (cond-mat.soft) ; Chemical Physics (physics.chem-ph) ; Optics (physics.optics)

[167] arXiv:2212.14271 (cross-list from astro-ph.GA) [cn-pdf, pdf, other]

Title: Where does the energy go during the interstellar NH$_3$ formation on water ice? A computational study Show Chinese title

Title: 在水冰上星际 NH$_3$形成过程中能量去哪了？ 计算研究

Stefano Ferrero, Stefano Pantaleone, Cecilia Ceccarelli, Piero Ugliengo, Mariona Sodupe, Albert Rimola

Subjects: Astrophysics of Galaxies (astro-ph.GA) ; Chemical Physics (physics.chem-ph)

[168] arXiv:2212.14331 (cross-list from cond-mat.mtrl-sci) [cn-pdf, pdf, other]

Title: Non-volatile Electric Control of Magnetic and Topological Properties of MnBi2Te4 Thin Films Show Chinese title

Title: MnBi2Te4薄膜的非易失性电控磁性和拓扑性质

Wei Luo, Mao-Hua Du, Fernando A. Reboredo, Mina Yoon

Comments: 22 pages, 5 figures

Journal-ref: 2D materials (2023)

Subjects: Materials Science (cond-mat.mtrl-sci) ; Mesoscale and Nanoscale Physics (cond-mat.mes-hall) ; Strongly Correlated Electrons (cond-mat.str-el) ; Chemical Physics (physics.chem-ph) ; Quantum Physics (quant-ph)

[169] arXiv:2212.14335 (cross-list from cond-mat.mtrl-sci) [cn-pdf, pdf, other]

Title: Cobalt-Based Magnetic Weyl Semimetals with High-Thermodynamic Stabilities Show Chinese title

Title: 基于钴的具有高热力学稳定性的磁性外尔半金属

Wei Luo, Yuma Nakamura, Jinseon Park, Mina Yoon

Comments: 22 pages, 5 figures

Subjects: Materials Science (cond-mat.mtrl-sci) ; Mesoscale and Nanoscale Physics (cond-mat.mes-hall) ; Chemical Physics (physics.chem-ph) ; Computational Physics (physics.comp-ph) ; Quantum Physics (quant-ph)

[170] arXiv:2212.14378 (cross-list from quant-ph) [cn-pdf, pdf, other]

Title: Quantum Phase Transitions in a Model Hamiltonian Exhibiting Entangled Simultaneous Fermion-Pair and Exciton Condensations Show Chinese title

Title: 模型哈密顿量中纠缠的同时费米子对和激子凝聚的量子相变

Samuel Warren, LeeAnn M. Sager-Smith, David A. Mazziotti

Journal-ref: Phys. Rev. B 106, 165107 (2022)

Subjects: Quantum Physics (quant-ph) ; Chemical Physics (physics.chem-ph) ; Computational Physics (physics.comp-ph)

[171] arXiv:2212.14390 (cross-list from cond-mat.mes-hall) [cn-pdf, pdf, other]

Title: Large Cumulant Eigenvalue as a Signature of Exciton Condensation Show Chinese title

Title: 大累积量特征值作为激子凝聚的标志

Anna O. Schouten, LeeAnn M. Sager-Smith, David A. Mazziotti

Journal-ref: Phys. Rev. B 105, 245151 (2022)

Subjects: Mesoscale and Nanoscale Physics (cond-mat.mes-hall) ; Strongly Correlated Electrons (cond-mat.str-el) ; Chemical Physics (physics.chem-ph) ; Quantum Physics (quant-ph)

[172] arXiv:2212.14758 (cross-list from cond-mat.soft) [cn-pdf, pdf, other]

Title: Elucidating contact electrification mechanism of water Show Chinese title

Title: 阐明水的接触起电机制

Vasily Artemov, Laura Frank, Roman Doronin, Philipp Stärk, Alexander Schlaich, Anton Andreev, Thomas Leisner, Aleksandra Radenovic, Alexei Kiselev

Comments: 21 pages main text, 4 figures, supporting information, including the theory of the charge transfer between two dissimilar aqueous interfaces induced by the contact potential difference, details of molecular dynamics simulations, and additional graphs, photos, and diagrams, including Figures S1 to S18 and Table S1

Subjects: Soft Condensed Matter (cond-mat.soft) ; Chemical Physics (physics.chem-ph)

[173] arXiv:2212.14781 (cross-list from quant-ph) [cn-pdf, pdf, other]

Title: Adapting the HHL algorithm to quantum many-body theory Show Chinese title

Title: 将HHL算法适应于量子多体理论

Nishanth Baskaran, Abhishek Singh Rawat, Akshaya Jayashankar, Dibyajyoti Chakravarti, K. Sugisaki, Shibdas Roy, Sudhindu Bikash Mandal, D. Mukherjee, V. S. Prasannaa

Journal-ref: Published in Phys. Rev. Research 5, 043113 (2023)

Subjects: Quantum Physics (quant-ph) ; Atomic Physics (physics.atom-ph) ; Chemical Physics (physics.chem-ph)