Quantum Chemistry Topic Alert

Read the latest articles in Quantum Chemistry View in Browser AIP Publishing Topic Alert January 2025 Quantum Chemistry MY SETTINGS > A glimpse of matrix mechanics via the harmonic oscillator  Elina Palmgren,Ricardo Karam Am. J. Phys. 93, 21–27 (2025) Read the article → Decoherence, entanglement, and information in the electron double-slit experiment with monitoring  Frederick W. Strauch Am. J. Phys. 93, 34–45 (2025) Read the article → Simulating spin dynamics with quantum computers  Jarrett L. Lancaster,D. Brysen Allen Am. J. Phys. 93, 98–109 (2025) Read the article → Modulating single molecular electron sources with light: Opportunities and challenges    Hirofumi Yanagisawa Appl. Phys. Lett. 126, 010501 (2025) Read the article → Hall deflection of spin-current driven skyrmion and its modulation    Yu Wang,Jingguo Hu APL Mater. 13, 011103 (2025) Read the article → Observation of topological edge states in photonic bilayer SSH lattice  Bin Zhang,Weizhao Cheng,Weijie Liu,Wenchao Yan,Feng Chen Appl. Phys. Lett. 126, 011105 (2025) Read the article → Enhanced red-light photorefractive response speed of LiNbO3 crystals for full color holographic display  Shuolin Wang,Yidong Shan,Zhaojie Wu,Dahuai Zheng,Shiguo Liu,Hongde Liu,Yongfa Kong,Jingjun Xu Appl. Phys. Lett. 126, 011904 (2025) Read the article → Tunable interfacial Rashba spin–orbit coupling in asymmetric AlxIn1−xSb/InSb/CdTe quantum well heterostructures  Zhenghang Zhi,Yuyang Wu,Hanzhi Ruan,Jiuming Liu,Puyang Huang,Shan Yao,Xinqi Liu,Chenjia Tang,Qi Yao,Lu Sun,Yifan Zhang,Yujie Xiao,Renchao Che,Xufeng Kou Appl. Phys. Lett. 126, 012104 (2025) Read the article → Phase stability and transition behaviors of (BixIn1−x)2Se3 alloy  Huachun Wang,Xuefen Cai,Wei Li,Bin Wang,Igor Evangelista,Anderson Janotti Appl. Phys. Lett. 126, 012106 (2025) Read the article → Lattice kinetic Monte Carlo method on fractal growth of transition metal dichalcogenides  Xuejiang Chen,Yishan Lin,Wensen Ai,Xinyao Zhang J. Vac. Sci. Technol. A 43, 012202 (2025) Read the article → Deep potential molecular dynamics simulations of low-temperature plasma-surface interactions  Andreas Kounis-Melas,Joseph R. Vella,Athanassios Z. Panagiotopoulos,David B. Graves J. Vac. Sci. Technol. A 43, 012603 (2025) Read the article → Multihyperuniformity in high-entropy MXenes  Yu Liu,Mohan Chen Appl. Phys. Lett. 126, 013101 (2025) Read the article → Coexistence of multiple electronic and phononic nodal lines in a two-dimensional macroporous carbon material  Weixiang Kong,Juan Wei,Xiaoliang Xiao,Rui Wang,Xiaozhi Wu Appl. Phys. Lett. 126, 013102 (2025) Read the article → Resonance cascades and number theory  Oleksandr V. Marchukov,Maxim Olshanii AVS Quantum Sci. 7, 013801 (2025) Read the article → Spin-transfer switching dynamics in a two-macrospin-coupled model system    J. Z. Sun J. Appl. Phys. 137, 013901 (2025) Read the article → Monte Carlo and micromagnetic study on constructing biskyrmion-like spin textures in bilayer magnetic films    Wenyan Wang,Sheng Pan,Jie-Xiang Yu J. Appl. Phys. 137, 013904 (2025) Read the article → Charge-mediated electric control of the perpendicular magnetic anisotropy in Fe–Ga/PMN-PT composite multiferroic    M. Tortarolo,D. Goijman,M. A. Barral,S. Di Napoli,A. A. Pérez Martínez,G. Ramírez,A. Sarmiento Chavez,J. Gómez,A. Zakharova,S. E. Bayram,F. Stramaglia,C. A. F. Vaz,J. Milano,C. Piamonteze J. Appl. Phys. 137, 014101 (2025) Read the article → Systematic analysis of biomolecular conformational ensembles with PENSA  Martin Vögele,Neil J. Thomson,Sang T. Truong,Jasper McAvity,Ulrich Zachariae,Ron O. Dror J. Chem. Phys. 162, 014101 (2025) Read the article → Mean lifetime of diffusing particle in cylindrical cavity with absorbing spots of arbitrary radii on its bases  Leonardo Dagdug,Ivan Pompa-García,Vladimir Yu. Zitserman J. Chem. Phys. 162, 014102 (2025) Read the article → Active learning of molecular data for task-specific objectives    Kunal Ghosh,Milica Todorović,Aki Vehtari,Patrick Rinke J. Chem. Phys. 162, 014103 (2025) Read the article → Mechanism of voltage frequency influence on vibration and discharge characteristics of water droplet attached to electrode  Yuxin Liu,Bo Zhang,Jinliang He Appl. Phys. Lett. 126, 014103 (2025) Read the article → Hydrogen bonding blues: Vibrational spectroscopy of the TIP3P water model  Zeke A. Piskulich,Qiang Cui J. Chem. Phys. 162, 014104 (2025) Read the article → Accurate DFT simulation of complex functional materials: Synergistic enhancements achieved by SCAN meta-GGA  Da Ke,Jianwei Sun,Yubo Zhang J. Chem. Phys. 162, 014107 (2025) Read the article → Direct Givens rotation method based on error back-propagation algorithm for self-consistent field solution  Rei Oshima,Hiromi Nakai J. Chem. Phys. 162, 014108 (2025) Read the article → Simulating anharmonic vibrational polaritons beyond the long wavelength approximation  Dipti Jasrasaria,Arkajit Mandal,David R. Reichman,Timothy C. Berkelbach J. Chem. Phys. 162, 014109 (2025) Read the article → h-CMD: An efficient hybrid fast centroid and quasi-centroid molecular dynamics method for the simulation of vibrational spectra    Dil K. Limbu,Nathan London,Md Omar Faruque,Mohammad R. Momeni J. Chem. Phys. 162, 014111 (2025) Read the article → Out-of-phase ELDOR spectroscopy: A precise tool for investigating structure and dynamics of charge-transfer states in organic photovoltaic blends  Alexander A. Popov,Ekaterina A. Lukina,Edward J. Reijerse,Wolfgang Lubitz,Leonid V. Kulik J. Chem. Phys. 162, 014201 (2025) Read the article → Magic-NOVEL: Suppressing electron–electron coupling effects in pulsed DNP  Amaria Javed,Marwa Yaser Ghazi,Venkata SubbaRao Redrouthu,Asif Equbal J. Chem. Phys. 162, 014202 (2025) Read the article → Endohedral vs exohedral boron in C60: Bonding nature and impact on hot-electron relaxation dynamics  Jianzhi Xu,Zhi-Xin Guo,Gao-Lei Hou J. Chem. Phys. 162, 014301 (2025) Read the article → Strain-controllable electronic, magnetic properties, and magnetic anisotropy energy in a 2D ferromagnetic half-metallic MGT monolayer    Linhui Lv,Fangyu Zhang,Diancong Qi,Zihao Xu,Weiyi Wang,Ya Su,Yanyan Jiang,Zhaoyong Guan J. Appl. Phys. 137, 014304 (2025) Read the article → Million-atom heat transport simulations of polycrystalline graphene approaching first-principles accuracy enabled by neuroevolution potential on desktop GPUs    Xiaoye Zhou,Yuqi Liu,Benrui Tang,Junyuan Wang,Haikuan Dong,Xiaoming Xiu,Shunda Chen,Zheyong Fan J. Appl. Phys. 137, 014305 (2025) Read the article → Electride transition in liquid aluminum under high pressure and high temperature  Yuxin Qin,Xiaoliang Zhang,Shiting Zhou,Yangyang Wang,Gaoyuan Chen,Chen-Min Dai,Weiwei Li,Cong Li J. Chem. Phys. 162, 014501 (2025) Read the article → High-throughput computational screening of auxetic two-dimensional metal dichalcogenides and dihalides  Xue Du,Jinghong Zhao,Jintian Wang,Xiaoqing Liu,Ziqin Ye,Liang Fang,Miao Zhou J. Chem. Phys. 162, 014703 (2025) Read the article → A sum-frequency generation vibrational spectroscopy studies on buried liquid/liquid interfaces of CCl4/[Cnmim][TFSA] (n = 4 and 8) hydrophobic ionic liquids  Takashi Iwahashi,Doseok Kim,Yukio Ouchi J. Chem. Phys. 162, 014705 (2025) Read the article → Effects of quenched disorder on the kinetics and pathways of phase transition in a soft colloidal system  Gadha Ramesh,Mantu Santra,Rakesh S. Singh J. Chem. Phys. 162, 014707 (2025) Read the article → Tunable phase behaviors of diblock copolyelectrolytes under alternating electric fields: A coarse-grained molecular dynamics study  Haiyang Huo,Wanchen Zhao,Xiaozheng Duan,Zhao-Yan Sun J. Chem. Phys. 162, 014902 (2025) Read the article → Loss of structural specificity in 3D genome organization upon viral infection is predicted by polymer physics  Andrea Fontana,Simona Bianco,Fabrizio Tafuri,Andrea Esposito,Alex Abraham,Mattia Conte,Francesca Vercellone,Florinda Di Pierno,Sumanta Kundu,Sougata Guha,Ciro Di Carluccio,Antonella Prisco,Mario Nicodemi,Andrea M. Chiariello J. Chem. Phys. 162, 014903 (2025) Read the article → Frictional heating in cyclotrimethylene trinitramine during nanoscratching: Plasticity and localized melting    Jianqiao Hu,Haiyang Yao,Huajie Song J. Appl. Phys. 137, 015102 (2025) Read the article → Residual strain optimization in 3D MOSFET structures for enhanced mobility via nanoscale heat transfer    Ji Hoon Hong,Min Sung Kang,Inho Ha,Hong-Lae Park,Kyungwook Park,Joohyun Jeon,Wonseok Yoo,Jueun Kim,Chunhyung Chung,Sung Min Park,Sung Beom Cho J. Appl. Phys. 137, 015103 (2025) Read the article → First-principles assisted design of high-entropy thermoelectric materials based on half-Heusler alloys    Chi Zhang,Na Yan,Changxin Zhao,Bingbo Wei J. Appl. Phys. 137, 015107 (2025) Read the article → Impact of key airfoil blade parameters on the internal flow and vibration characteristics of centrifugal pumps  Xiaoqi Jia (贾晓奇),贾晓奇,Jie Zhang (张杰),张杰,Denghua Chen (陈登华),陈登华,Zhenhe Tang (唐真和),唐真和,Qing Huang (黄清),黄清,Chengming Zhou (周成名),周成名,Yongtao Ma (马永涛),马永涛,Qigang Zhao (赵启刚),赵启刚,Zhe Lin (林哲),林哲 Physics of Fluids 37, 015134 (2025) Read the article → Computational fluid dynamics-population balance model approach with drag force of bubble swarms for polydispersed bubbly flow in continuous casting mold  Yu Li,Zhongqiu Liu,Yongtao Xiong,Yuchao Yao,Baokuan Li,Guodong Xu Physics of Fluids 37, 015143 (2025) Read the article → An innovative and rapid method for permanent hydrophilic modification of polydimethylsiloxane (PDMS) chip surfaces    Shiqi Sheng,Minglei Wang,Liuhua Mu J. Appl. Phys. 137, 015301 (2025) Read the article → Realized stable BP-N at ambient pressure by phosphorus doping    Guo Chen,Chengfeng Zhang,Yuanqin Zhu,Bingqing Cao,Jie Zhang,Xianlong Wang Matter Radiat. Extremes 10, 015801 (2025) Read the article → Modeling correlated-noise in silicon spin qubit device    Guoting Cheng,Jing Guo APL Quantum 2, 016101 (2025) Read the article → Time-dependent nonlinear fluid oscillations in the gap between two side-by-side ships during transfer  Zhiwei Song (宋志伟),宋志伟,Xiaofan Lou (娄晓帆),娄晓帆,Yan Jin (金言),金言,Hao Liu (刘浩),刘浩 Physics of Fluids 37, 017108 (2025) Read the article → Modulating spin-valley relaxation in WSe2 with variable thickness VOPc layers  Daphné Lubert-Perquel,Byeong Wook Cho,Alan J. Phillips,Young Hee Lee,Jeffrey L. Blackburn,Justin C. Johnson Chem. Phys. Rev. 5, 041405 (2024) Read the article → Analysis of the effect of the Fermi surface matching at Co–Fe and Cu interface on giant magnetoresistance effect using a combinatorial technique    Varun Kumar Kushwaha,Ryo Toyama,Yoshio Miura,Yuma Iwasaki,Yuya Sakuraba AIP Advances 14, 125329 (2024) Read the article → Quantum oscillations of the magnetic properties in Mn-diluted (Mn, Ga)4C alloys    Yinghua Liang,Zhong Zhang,Tianhong Zhou,Jihoon Park,Chul-Jin Choi,Qiong Wu,Hongliang Ge,Pingzhan Si AIP Advances 14, 125330 (2024) Read the article → A brief introduction to the diffusion Monte Carlo method and the fixed-node approximation    Alfonso Annarelli,Dario Alfè,Andrea Zen J. Chem. Phys. 161, 241501 (2024) Read the article → More Articles Related to this Topic→ Follow us on social media Copyright © 2024 AIP Publishing. 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