Quantum Chemistry Topic Alert

Read the latest articles in Quantum Chemistry View in Browser OUR JOURNALS MANAGE MY ALERTS ABOUT AIP PUBLISHING Quantum Chemistry  February 2026 Topic Alert ALL ARTICLES > Moiré spintronics: Emergent phenomena, material realization and machine learning accelerating discovery Fengjun Zhuo (卓冯骏),卓冯骏,Zhenyu Dai (戴震宇),戴震宇,Kai Chang (常凯),常凯,Hongxin Yang (杨洪新),杨洪新,Zhenxiang Cheng (程振祥),程振祥 READ MORE > Quantum simulation of many-body dynamics with noise-robust Trotter decomposition based on symmetric structures Bo Yang,Naoki Negishi READ MORE > Electrohydrodynamic effect on sessile droplet evaporation: A review Longwei Zeng,Zhentao Wang,Shifan Ouyang,Jue Wang,Jun Zheng,Qingming Dong,Junfeng Wang READ MORE > Effect of wall-solution van der Waals interaction and surface charge density on slip boundary conditions of aqueous electrolyte solution Xufeng Lang,Yi Zhang,Zhijuan Chang,Xuehong Wu READ MORE > Structural and dynamic properties of dense hydrogen plasmas from semi-classical molecular dynamics simulations Hanno Kählert READ MORE > Photoelectron spectroscopy study of the surface of the ionic liquid BmImPF6 before and after Ar+ sputtering Akihiko Shigemoto,Tsuyoshi Masuda,Megumi Mori READ MORE > Hydrogen bond-mediated activation of HF in SiO2 thermal dry etching: A first-principles study of catalytic additives Yihan Huang,Monica Sawkar Mathur READ MORE > Generalized super-W1+∞-n-algebra and Landau problem Fridolin Melong,Raimar Wulkenhaar READ MORE > Equation of state and electronic transport properties of dense liquid hydrogen A. Bergermann,U. Kleinschmidt,S. H. Glenzer,R. Redmer READ MORE > Spectral analysis of amplitude-modulated microwave signals with nitrogen-vacancy centers in diamond Zhitao Yang,Feifei Zhou,Jianghang Yu,Hongwei Chen,Ying Dong,Xinqing Wang,Jun Li READ MORE > Enhanced coercivity in Fe5C2/SiO2 core/shell nanocrystals Pramanand Joshi,Hur Abbas,Tej Raj Karki,Jeotikanta Mohapatra,Xubo Liu,J. Ping Liu READ MORE > Effect of rare earth elements substitution in FePt-C granular films on magnetic properties and nanostructure Kim Kong Tham,Daiki Miyazaki,Shin Saito READ MORE > Energy-efficient spintronics through unconventional spin-orbit torque and voltage-controlled devices Yifei Yang,Yu-Chia Chen,Qi Jia,Brahmdutta Dixit,Jian-Ping Wang READ MORE > Machine-learning force-field models for dynamical simulations of metallic magnets Gia-Wei Chern,Yunhao Fan,Sheng Zhang,Puhan Zhang READ MORE > Impact of surface termination on magnetic anisotropy and Gilbert damping in L10-MnAl thin films Rouf Rahman Sheikh,Ram Krishna Ghosh READ MORE > Prediction of magnetocrystalline anisotropy constants in FeCoNi thin films using density of states features Ren Sudo,Tomoya Ueno,Shogo Yamashita,Mikihiko Oogane READ MORE > Adaptive gamma spectrum based on neutron transport algorithm Chen Xie,Yu Wang,Zhigang Li,Huixin Zhu,Yizhi Zeng,Jintao Wang,Lei Song,Guiming Chen READ MORE > Nd2Fe17N3 powders with planar magnetocrystalline anisotropy for sub-terahertz broadband absorbers Satoshi Abe,Jun Akamatsu,Naoki Mitsui,Nobuyoshi Imaoka,Shusuke Okada,Kimihiro Ozaki READ MORE > High-frequency switching in superparamagnetic magnetic tunnel junctions by enhancing damping Qi Jia,Jian-Ping Wang READ MORE > Structural, magnetic and electrical transport properties of YMnAl Parashu Kharel,Mohd Anas,Yogesh Khatri,Renat Sabirianov READ MORE > Effects of thermal exchange–correlation functional on thermodynamic quantities of warm dense beryllium Chang Gao,Shen Zhang,Zhen-Guo Fu,Haijun Huang,X. T. He,Weiyan Zhang,Wei Kang READ MORE > Long-range electrostatics for machine learning interatomic potentials is easier than we thought Dongjin Kim,Bingqing Cheng READ MORE > D-band width of Pd metallene rationally broadened by Pt alloying enables efficient performance toward hydrogen evolution reaction Jun Cao,Jiaying Zhang,Shuai Zeng,Yuan Tian,Hong Sun,Yu Wang,Jingjing Wang,Yingying Zheng,Jiaqi Pan,Chaorong Li READ MORE > Does the diffuse OH-stretch band in the IR spectrum of protonated oxalate exhibit quantum chaos? Chen Qu,Paul L. Houston,Joel M. Bowman READ MORE > Unveiling the role of grain boundaries in driving in-plane conductive filament formation in MoS2 neuromorphic devices Jisheng Sun,Baolong Wang,Jianshi Sun,Renzong Wang,Abid Ullah,Yifan Liu,Daojie Hu,Yuge Deng,Yucheng Xiong,Peng Gu,Ge Chen,Xiangjun Liu READ MORE > In situ analysis of SiO2 films etched under cryogenic conditions using H2/F2/Ar gas mixture plasma Yuma Kato,Junji Kataoka,Ryo Saito,Daiki Iino,Kazuaki Kurihara,Tetsuya Sato,Hiroyuki Fukumizu READ MORE > Giant Rashba spin splitting for circular photogalvanic effect in wafer-scale lead sulfide thin film Xianjing Zhang,Wei Ke,Yan Lu,Yu Wan,Mingshuo Zhen,Fafu Liu,Hongyu Chen,Fengliang Liu,Qisheng Wang READ MORE > Phonon transport in lithiated graphene–copper heterostructures: Intertwined thermal and electrochemical properties Dipali Nayak,Carlos M. Da Silva,Om Patel,Cristina H. Amon READ MORE > Persistent spin texture protected by the approximate symmetry in a weakly interacting graphene/WTe2 heterostructure Przemysław Przybysz,Karma Tenzin,Berkay Kilic,Witold Kozłowski,Paweł J. Kowalczyk,Paweł Dabrowski,Jagoda Sławińska READ MORE > QMeCha: Quantum Monte Carlo package for fermions in embedding environments Matteo Barborini,Jorge Charry,Matej Ditte,Andronikos Leventis,Georgios Kafanas,Alexandre Tkatchenko READ MORE > Tunable quantum layer spin Hall effect in bilayer altermagnetic Nb2SeTeO Hang Shi,Yuqian Jiang,Yuping Tian,Wenpeng Wang,Shaozhi Li,Wei-Jiang Gong,Xiangru Kong READ MORE > Spin–orbit coupling signatures in polycrystalline bismuth thin films Subhransu Kumar Negi,Rajib Sarkar,Sohini Guin,Naresh Shyaga,Dhavala Suri READ MORE > Observation of hybridized dark and bright modes in coupled dark resonators Li Xing,Yue Liu,Ying Zhang,Jiaxin Cheng,Zhijun Liu READ MORE > Coupled electric dipole model for a Su–Schrieffer–Heeger chain of optically resonant coreshell nanoparticles Álvaro Buendía,Nuno M. R. Peres READ MORE > Unveiling the structural, electronic, and optical properties of ATaO3 (A = K, Rb, Cs) perovskites via DFT calculations Mosfiqur Rahman,Jahid Hossain Bhuiyan,Nilufer Yesmin Tanisa,Mst. Afroza Akter,Tareque Aziz READ MORE > Unified theory of dark count rate and system detection efficiency for NbN, WSi based superconducting single photon detectors Daien He,Leif Bauer,Sathwik Bharadwaj,Zubin Jacob READ MORE > Critical point search and linear response theory for computing electronic excitation energies of molecular systems. I. General framework, application to Hartree–Fock and DFT Laura Grazioli,Yukuan Hu,Eric Cancès READ MORE > Machine learning and first-principles guided design of BaTiO3-based materials for capacitor applications Chong Guo,Kailing Fang,Haojie Yue,Kun Guo,Ziliang Deng,Zhichao Gong,Kang Li,Huacheng Zhang,Zhiyong Liu,Bing Xie,Pu Mao,Chee Kiang Ivan Tan,Kui Yao,Francis Eng Hock Tay READ MORE > Comparison between first-principles supercell calculations of polarons and the ab initio polaron equations Zhenbang Dai,Donghwan Kim,Jon Lafuente-Bartolome,Feliciano Giustino READ MORE > A template-based automatic fragmentation algorithm for complex and large systems in the generalized energy-based fragmentation framework Xuerong Wang,Junhui Sun,Linke He,Jin Wen,Jianyi Wang,Wei Li,Shuhua Li READ MORE > Regularized density-potential inversion for periodic systems: Application to exact exchange in one dimension Oliver M. Bohle,Maryam Lotfigolian,Andre Laestadius,Erik I. Tellgren READ MORE > Electronic–nuclear entanglement in Born–Oppenheimer wave functions and beyond Juan F. P. Mosquera,José Luis Sanz-Vicario READ MORE > Analyzing density-driven errors: Principles and pitfalls Sehun Kim,Do-gyeong Lee,Gyumin Kim,Youngsam Kim,Mihira Sogal,Steven Crisostomo,Kieron Burke,Eunji Sim READ MORE > Preserving fermionic statistics for single-particle approximations in microscopic quantum master equations Mikayla Z. Fahrenbruch,Anthony W. Schlimgen,Kade Head-Marsden READ MORE > A theoretical framework for random acceleration molecular dynamics simulations Yiwei Ding,Alessia Ghidini,Pilar Cossio,Benoît Roux READ MORE > Molecular dynamics reveals H-bonding and desolvation energy changes of the Ca2+ hydration shell triggered by terahertz wave Xinrui Jin,Hongguang Wang,Wen Ding,Yongdong Li,Chunliang Liu READ MORE > Relativistic quintuple-zeta basis sets for the p block Marten L. Reitsma,Eifion H. Prinsen,Johan D. Polet,Anastasia Borschevsky,Kenneth G. Dyall READ MORE > : Foundational libraries for interoperable atomistic machine learning Filippo Bigi,Joseph W. Abbott,Philip Loche,Arslan Mazitov,Davide Tisi,Marcel F. Langer,Alexander Goscinski,Paolo Pegolo,Sanggyu Chong,Rohit Goswami,Pol Febrer,Sofiia Chorna,Matthias Kellner,Michele Ceriotti,Guillaume Fraux READ MORE > Interaction between charged nanoparticles in deionized suspensions Alexandre P. dos Santos,Yan Levin READ MORE > Analytic evaluation of dipole derivatives in constrained nuclear–electronic orbital framework: Impact of nuclear quantum effects on infrared intensities Yuzhuo Yang,Xi Xu READ MORE > Follow us on social media   Copyright © 2026 AIP Publishing. All rights reserved. 1305 Walt Whitman Rd., Melville, NY 11747 You are receiving this email because you have opted-in to receive alerts from us. To guarantee delivery of this email please add alerts@aip-info.org to your address book and safe senders list. If you no longer wish to receive emails from us then please unsubscribe or amend your settings. Privacy Policy