Quantum Chemistry Topic Alert

Read the latest articles in Quantum Chemistry View in Browser OUR JOURNALS MANAGE MY ALERTS ABOUT AIP PUBLISHING Quantum Chemistry  March 2025 Topic Alert ALL ARTICLES > Quantum fields from dimensional analysis: Applications in condensed matter systems Richard Robinett READ MORE > Parameterization of the oceanic ambient noise using orthogonal decomposition Gleb Panteleev,Max Yaremchuk,W. Erick Rogers,Laurie T. Fialkowski,Joseph M. Fialkowski,Daniel J. Brooker,Oceana P. Francis READ MORE > Mastering the growth of antimonene on Bi2Se3: Strategies and insights Roberto Flammini,Conor Hogan,Stefano Colonna,Fabio Ronci,Mauro Satta,Marco Papagno,Ziya S. Aliev,Sergey V. Eremeev,Evgueni V. Chulkov,Zipporah R. Benher,Sandra Gardonio,Luca Petaccia,Giovanni Di Santo,Carlo Carbone,Paolo Moras,Polina M. Sheverdyaeva READ MORE > Comparison of multiple-wave growth models in calibrating cumulative cases of COVID-19 Raqqasyi Rahmatullah Musafir,Agus Suryanto,Isnani Darti,Trisilowati READ MORE > Ultra-short-term prediction of solar irradiance with multiple exogenous variables by fusion of ground-based sky images Xiaopeng Sun,Wenjie Zhang,Mifeng Ren,Zhujun Zhu,Gaowei Yan READ MORE > Longitudinal dispersion and soliton in carbyne incorporating initial extension Kun Huang,Yao Shu READ MORE > Fluctuation and aggregation dynamics of solid–liquid flow in deep-sea mining pipelines under lateral vibration Liwen Deng (邓立文),邓立文,Haining Lu (吕海宁),吕海宁,Jianmin Yang (杨建民),杨建民,Bei Zhang (张贝),张贝,Pengfei Sun (孙鹏飞),孙鹏飞,Rui Guo (郭睿),郭睿 READ MORE > First-principles insights into the optoelectronic, thermoelectric, and elastic properties of Cs2NaSbBr6 double perovskites for sustainable energy applications MD Ratul Hasan,Imtiaz Ahamed Apon,Md. Alamgir Hossain READ MORE > Oblique propagation of high-frequency electron-acoustic periodic waves in a nonthermal plasma Haifa A. Alyousef,Daud Khan,Wilayat Khan,Muhammad Khalid,C. G. L. Tiofack,Samir A. El-Tantawy READ MORE > The atomic-scale structure, stability, and bonding characteristics of Ag(224)/Ag3Sn(002) interfaces based on the first-principles calculation Juanxia He,Caijie Ye,Zihao Li,Mingjun Pang,Gang Fan,Wenchao Yang,Yongzhong Zhan READ MORE > Enhanced out-of-plane piezoelectricity in two-dimensional TlP by surface hydrogenation Jia-Bin Li,Yonghua Tang READ MORE > Coverage level dependence of magnetization reorientation of Fe adatoms on MoSe2 monolayer N. Batnyam,T. Ochirkhuyag,B. Odontuya,G. Munkhsaikhan,D. Odkhuu READ MORE > Ultrathin insulators as gate dielectric for blue phosphorene field-effect transistors Xian Lin,Jian-Min Zhang,Guigui Xu,Kehua Zhong,Zhigao Huang READ MORE > High-voltage current sensing with nitrogen-vacancy centers in diamond Shao-Chun Zhang,Long Zhao,Ru-Jia Qiu,Jia-Qi Geng,Teng Tian,Bo-Wen Zhao,Yong Liu,Long-Kun Shan,Xiang-Dong Chen,Guang-Can Guo,Fang-Wen Sun READ MORE > A Swin-Transformer-based deep-learning model for rolled-out predictions of regional wind waves Weikai Tan (谈伟恺),谈伟恺,Caihao Yuan (袁才昊),袁才昊,Sudong Xu (徐宿东),徐宿东,Yuan Xu (徐元),徐元,Alessandro Stocchino READ MORE > Zero reflections of water surface gravity waves induced by a finite periodic array of artificial bars Huan-Wen Liu,Wen-Jie Xie,Jian-Jian Xie,Dezhi Ning READ MORE > Influence of ocean currents and surface tension on class II Bragg resonance using multi-scale analysis Deepali Goyal,Tapan Kumar Hota,S. C. Martha READ MORE > Modeling the volume oscillation of air masses trapped in deep tunnels Xuan Jiao (焦萱),焦萱,Lanhao Zhao (赵兰浩),赵兰浩 READ MORE > How the choice of exchange–correlation functional affects DFT-based simulations of the hydrated electron William R. Borrelli,Xiaoyan Liu,Benjamin J. Schwartz READ MORE > Proposal and theoretical investigation of 229Th-doped nonlinear optical crystals for compact solid-state clocks H. W. T. Morgan,R. Elwell,J. E. S. Terhune,H. B. Tran Tan,U. C. Perera,A. Derevianko,A. N. Alexandrova,E. R. Hudson READ MORE > The competition between van der Waals and ionic interactions at the SrTiO3/mica heterointerface Renhong Liang,Shanming Ke READ MORE > High-pressure and high-temperature induced phase transition and thermoelectric property modulation in CoSbS Mengxiang Yang,Hongyu Zhu,Shuai Duan,Jingyang Du,Shangsheng Li,Xiaobing Liu,Taichao Su READ MORE > Surface-driven structural evolution and electronic transition of SbSe chains on Au(111) Li Li,Qiwei Tian,Shuangping Liao,Sahar Izadi Vishkayi,Li Zhang,Long-Jing Yin,Yuan Tian,Meysam Bagheri Tagani,Lijie Zhang,Zhihui Qin READ MORE > Coexistence of Dirac nodal loops and triply degenerate nodal points in three-dimensional interpenetrated α-graphyne Pinglan Yan,Yuke Song,Shifang Li,Xizhi Shi,Jin Li,Chaoyu He,Tao Ouyang,Chao Tang,Jianxin Zhong READ MORE > Tunable spin/valley splitting and multiple Hall effects in interlayer coupling-dependent SVSiN2 multiferroic bilayers Yunxi Qi,Jun Zhao,Hui Zeng READ MORE > Determination of the B4-B1 phase boundary in semiconductors using isothermal compression Raman spectroscopy Binbin Wu,Yu Li,Yuru Lin,Jingyi Liu,Yu Tao,Xue Chang,Li Lei READ MORE > Large out-of-plane piezoelectric response of ferromagnetic monolayer MoXF (X=S, Se): First principles predictions Shiyu Xiao,Songli Dai,Furong Xu,Heng Wang,Zhigang Yu,Zean Tian READ MORE > Investigation on the structural and electronic property of monoclinic Al2O3/β-Ga2O3 superlattice with varying layer periods Jiahe Cao,Yan Wang,Chuang Zhang,Guofeng Hu,Weihua Tang,Guosong Zeng,Daniela Gogova,Chee-Keong Tan READ MORE > Phonon thermal transport in two-dimensional gallium nitride: Role of higher-order phonon–phonon and phonon–electron scattering Jianshi Sun,Xiangjun Liu,Yucheng Xiong,Yuhang Yao,Xiaolong Yang,Cheng Shao,Renzong Wang,Shouhang Li READ MORE > Dynamic susceptibility of eccentric nanorings E. Saavedra,V. L. Carvalho-Santos,S. Castillo-Sepúlveda,R. M. Corona,D. Altbir READ MORE > Sliding-driven symmetry breaking induced ferroelectric polarization and phonon property modulation in a β-GaSe bilayer Sihan Yan,Jia-Han Zhang,Bo Li,Lincong Shu,Shaohui Zhang,Songrui Wei,Chee-Keong Tan,Shan Li,Zeng Liu,Weihua Tang READ MORE > Probing thickness-dependent tip-induced band bending in MoS2 Jian Liao,Takashi Taniguchi,Kenji Watanabe,Jiamin Xue READ MORE > Packing fraction related transport in disordered quantum dot arrays K. Eshraghi,S. Natani,P. Bandaru READ MORE > Controllable nonlinearities in Landau-quantized graphene Abhiraj Aryan,Rohit Mukherjee,Rohit Hazra,Nitu Borgohain,Nitya Garg READ MORE > Steady-state transition of buckled nano graphite sheets in vibration processes Xinjie Liu,Haiyan Hu,Xiao Wang,Rumeng Liu,Jun Yin,Lifeng Wang READ MORE > Multidimensional high-throughput screening for mixed perovskite materials with machine learning Chengbing Chen,Jianrong Xiao,Zhiyong Wang READ MORE > Modified vibrational perturbation theory as applied to the collinear H + H2 and D + H2 reactions Sameernandan Upadhyayula,Chiara Aieta,Michele Ceotto,Eli Pollak READ MORE > Protein solvation: Site-specific hydrophilicity, hydrophobicity, counter ions, and interaction entropy Chao Zhang,Kaifang Huang,John Z. H. Zhang READ MORE > Modeling entanglement dynamics of molecules interacting with entangled photons through Lindblad master equation approach Sajal Kumar Giri,George C. Schatz READ MORE > Time-frequency analysis of femtosecond CARS spectroscopy of N2 and O2 using the superlet transform Duo Feng,Yunfei Song,Zanhao Wang,Lin Yang,Zengming Zhang,Yanqiang Yang READ MORE > The structure and symmetry of modular state space for complex quantum systems Guohua Tao READ MORE > Toward a Monte Carlo simulation of protein systems in amino-acid sequence space Yuko Okamoto READ MORE > On the applicability of CCSD(T) for dispersion interactions in large conjugated systems S. Lambie,D. Kats,D. Usvyat,A. Alavi READ MORE > Local hybrid alternatives to the orbital density approximation reduce the orbital dependence of self-interaction corrected DFT and the overbinding of DFT-corrected correlated wavefunctions Benjamin G. Janesko READ MORE > Non-perturbative exciton transfer rate analysis of the Fenna–Matthews–Olson photosynthetic complex under reducing and oxidizing conditions Hallmann Ó. Gestsson,Charlie Nation,Jacob S. Higgins,Gregory S. Engel,Alexandra Olaya-Castro READ MORE > Unraveling internal friction in a coarse-grained protein model Carlos Monago,J. A. de la Torre,R. Delgado-Buscalioni,Pep Español READ MORE > SHARC-VQE: Simplified Hamiltonian approach with refinement and correction enabled variational quantum eigensolver for molecular simulation Harshdeep Singh,Sonjoy Majumder,Sabyashachi Mishra READ MORE > Adaptive-precision potentials for large-scale atomistic simulations David Immel,Ralf Drautz,Godehard Sutmann READ MORE > Transition path and interface sampling of stochastic Schrödinger dynamics Robson Christie,Peter G. Bolhuis,David T. Limmer READ MORE > A comparison of probabilistic generative frameworks for molecular simulations Richard John,Lukas Herron,Pratyush Tiwary READ MORE > Follow us on social media Copyright © 2025 AIP Publishing. All rights reserved. 1305 Walt Whitman Rd., Melville, NY 11747 You are receiving this because you opted in to receive free content alerts from AIP Publishing. 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