Quantum Chemistry Topic Alert

Read the latest articles in Quantum Chemistry View in Browser AIP Publishing Topic Alert November 2024 Quantum Chemistry MY SETTINGS > Chemistry Nobel honors protein design and modeling  Alex Lopatka Physics Today 77, 17–18 (2024) Read the article → Sparse Gaussian process based machine learning first principles potentials for materials simulations: Application to batteries, solar cells, catalysts, and macromolecular systems    Soohaeng Yoo Willow,Amir Hajibabaei,Miran Ha,David ChangMo Yang,Chang Woo Myung,Seung Kyu Min,Geunsik Lee,Kwang S. Kim Chem. Phys. Rev. 5, 041307 (2024) Read the article → Structural and angle-resolved optical and vibrational properties of chiral trivial insulator InSeI  Melike Erdi,Jesse Kapeghian,Patrick Hays,Medha Dandu,Daria D. Blach,Mohammed Sayyad,Jan Kopaczek,Renee Sailus,Archana Raja,Sandhya Susarla,Antia S. Botana,Seth Ariel Tongay Appl. Phys. Rev. 11, 041422 (2024) Read the article → Applications of machine learning to high temperature and high pressure environments: A literature review    Hengkai Wang,Zengtao Lv,Santosh Kumar,Qinglin Wang APL Mach. Learn. 2, 046111 (2024) Read the article → Nanocomposites based on multicomponent quantum dots  Alisher Ishankulov,Zarangiz Islomova,Qadriddin Khalilov,Nurali Mukhamadiev,Radik Shamilov,Yuriy Galyametdinov AIP Conf. Proc. 3244, 050010 (2024) Read the article → Classifying photonic topology using the spectral localizer and numerical K-theory    Alexander Cerjan,Terry A. Loring APL Photonics 9, 111102 (2024) Read the article → Polarizable force field for TiO2 based on the Drude oscillator model    Fredrik Grote,Marzieh Saeedimasine,Alexander P. Lyubartsev AIP Advances 14, 115123 (2024) Read the article → Porous solids for energy applications  Saman Alavi,Livia E. Bove,Niall J. English,Donglin Jiang,Rocio Semino,Amadeu K. Sum J. Chem. Phys. 161, 200401 (2024) Read the article → Revisiting the Green–Kubo relation for friction in nanofluidics    Anna T. Bui,Stephen J. Cox J. Chem. Phys. 161, 201102 (2024) Read the article → Efficient and scalable wave function compression using corner hierarchical matrices  Kenneth O. Berard,Hongji Gao,Alexander Teplukhin,Xiangmin Jiao,Benjamin G. Levine J. Chem. Phys. 161, 204106 (2024) Read the article → An electronic phase-space Hamiltonian approach for electronic current density and vibrational circular dichroism  Zhen Tao,Titouan Duston,Zheng Pei,Yihan Shao,Jonathan Rawlinson,Robert Littlejohn,Joseph E. Subotnik J. Chem. Phys. 161, 204107 (2024) Read the article → Self-learning path integral hybrid Monte Carlo with mixed ab initio and machine learning potentials for modeling nuclear quantum effects in water  Bo Thomsen,Yuki Nagai,Keita Kobayashi,Ikutaro Hamada,Motoyuki Shiga J. Chem. Phys. 161, 204109 (2024) Read the article → A reaction network model of microscale liquid–liquid phase separation reveals effects of spatial dimension  Jinyoung Kim,Sean D. Lawley,Jinsu Kim J. Chem. Phys. 161, 204110 (2024) Read the article → Time-dependent ab initio molecular-orbital decomposition for high-harmonic generation spectroscopy  Marco Marchetta,Chiara Morassut,Julien Toulouse,Emanuele Coccia,Eleonora Luppi J. Chem. Phys. 161, 204111 (2024) Read the article → Borophene nanoclusters: Energetics and structures from analytical potentials  Farideh Zergani,Jorge M. C. Marques,Massimiliano Bartolomei,Fernando Pirani J. Chem. Phys. 161, 204303 (2024) Read the article → Studying single-electron traps in newly fabricated Skipper-CCDs for the Oscura experiment using the pocket-pumping technique    Santiago Ezequiel Perez Garcia,Brenda Aurea Cervantes Vergara,Juan Cruz Estrada,Stephen Holland,Dario Pablo Rodrigues Ferreira Maltez,Javier Tiffenberg J. Appl. Phys. 136, 204502 (2024) Read the article → The Kob–Andersen model crystal structure: Genetic algorithms vs spontaneous crystallization  Yu. D. Fomin,N. M. Chtchelkatchev J. Chem. Phys. 161, 204504 (2024) Read the article → Thermodynamic properties of pinned nanobubbles  Hongguang Zhang,Zhenjiang Guo,Daan Frenkel,Jure Dobnikar,Xianren Zhang J. Chem. Phys. 161, 204505 (2024) Read the article → The influence of water polarization on slip friction at charged interfaces    Amith Kunhunni,Sleeba Varghese,Sridhar Kumar Kannam,Sarith P. Sathian,Peter J. Daivis,B. D. Todd J. Chem. Phys. 161, 204705 (2024) Read the article → Electronic vs optical bandgap of stoichiometric V2O5: Effects of surface transfer doping and electron accumulation layer    Sangyeon Lee,Qi Wang,Vidhya Chakrapani J. Appl. Phys. 136, 205101 (2024) Read the article → Size-dependent atomic strain localization mechanism in Nb/amorphous CuNb nanolayered composites    Yangheng Chen,Yaodong Wang,Jianjun Li J. Appl. Phys. 136, 205103 (2024) Read the article → Influence of Janus structure on the thermoelectric performance of the α-Se monolayer    Q. H. Liu,H. L. Shi,Q. Z. Han,J. Yang,Y. H. Zhao,L. J. Gong,H. Yang,R. S. Cheng,Z. T. Jiang J. Appl. Phys. 136, 205704 (2024) Read the article → Search for promising structures and superconductivity in high-pressure Sr through first-principles calculations    Masaaki Geshi,Hiroki Funashima,Gayan Prasad Hettiarachchi J. Appl. Phys. 136, 205901 (2024) Read the article → Density functional theory and material databases in the era of machine learning  Arti Kashyap Appl. Phys. Lett. 125, 220502 (2024) Read the article → Self-trapped exciton-phonon resonance enhanced nonlinear susceptibility in 2D KNbO2  Fei Zhou,Zhiyuan Yang,Jingtao Huang,Xueping Zheng,Xianhua Wei,Bo Dai Appl. Phys. Lett. 125, 221105 (2024) Read the article → Physical properties and thermal stability of zirconium platinum nitride thin films    R. A. Gallivan,J. Manser,A. Michelini,N. Toncich,N. Abando Beldarrain,C. Vockenhuber,A. Müller,H. Galinski Appl. Phys. Lett. 125, 221901 (2024) Read the article → Removal of hydrogen by electric and polarized fields for high-performance AlGaN deep-ultraviolet-C light emitting diodes  Weiqing Tang,Libin Guo,Nan Qiao,Zhiming Wu,Yaping Wu Appl. Phys. Lett. 125, 222101 (2024) Read the article → Magnetic textures and perpendicular anisotropy in asymmetric multilayers with Ta and W  S. Al Shukaili,I. Berrai,F. Al Ma'Mari,M. Ramu,S. Bhatti,M. T. Zar Myint,S. Al Harthi,S. M. Cherif,S. N. Piramanayagam,R. Sbiaa Appl. Phys. Lett. 125, 222401 (2024) Read the article → Strain-induced valley polarization, topological states, and piezomagnetism in two-dimensional altermagnetic V2Te2O, V2STeO, V2SSeO, and V2S2O  Jin-Yang Li,An-Dong Fan,Yong-Kun Wang,Ying Zhang,Si Li Appl. Phys. Lett. 125, 222404 (2024) Read the article → All-optical quality control of indenene intercalation into graphene/SiC  Cedric Schmitt,Simone Sotgiu,Stefan Enzner,Jonas Erhardt,Elena Stellino,Domenico Di Sante,Giorgio Sangiovanni,Ralph Claessen,Simon Moser,Leonetta Baldassarre Appl. Phys. Lett. 125, 223102 (2024) Read the article → Double-barrier magnetic tunnel junctions with enhanced tunnel magnetoresistance  Xiaohong Zheng,Shili Yang,Zhifan Zheng,Chun-Sheng Liu,Weiyang Wang,Lei Zhang Appl. Phys. Lett. 125, 223503 (2024) Read the article → More Articles Related to this Topic→ Follow us on social media Copyright © 2024 AIP Publishing. All rights reserved. 1305 Walt Whitman Rd., Melville, NY 11747 This email has been sent to znamenski.someunknown@blogger.com You are receiving this because you opted in to receive free content alerts from AIP Publishing. Please do not reply to this email, this email address is not monitored. 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