Quantum Chemistry Topic Alert

Read the latest articles in Quantum Chemistry View in Browser OUR JOURNALS MANAGE MY ALERTS ABOUT AIP PUBLISHING Quantum Chemistry  November 2025 Topic Alert ALL ARTICLES > A Hands-On Activity for Introducing Gauss's Law Benjamin E. Levy,Stephanie N. Cudo,Anthony N. Kuchera,Mario Belloni READ MORE > Orbital motion of primordial black holes crossing Sun-like stars Vitorio A. De Lorenci,David I. Kaiser,Patrick Peter READ MORE > Non-perturbative macroscopic theory of interfaces with discontinuous dielectric constant Y. M. Beltukov,A. V. Rodina,A. Alekseev,Al. L. Efros READ MORE > Highly tunable Förster resonance energy transfer across atomically thin organic–inorganic interfaces Linglong Zhang,Jian Kang,Xueqian Sun,Shunshun Yang,Yichun Cui,Han Yan,Rui Fang,Jiajie Pei,Jiong Yang,Haizeng Song,Ming Tian,Neng Wan,Hucheng Song,Fei Zhou,Youwen Liu,Yi Shi,Yuerui Lu READ MORE > Tuning electronic transport properties of in-plane-graphene–h-BN superlattices for improved thermoelectric material Wenusara Satheekshana,Pasan Henadeera,Nalaka Samaraweera,Galhenage Asha Sewvandi READ MORE > Crossover of critical behavior and magnetocaloric effect in FePd2Te2 with one-dimensional Fe chains Hongyuan Wang,Lanfeng Liu,Wei Li,Si Wu,Baomin Wang READ MORE > Electro-osmotic creeping physiological propulsion between uniform and non-uniform microtubes with transversely deflecting walls Muhammad Roshan (मुहम्मद रोशन),मुहम्मद रोशन,Pramod Kumar Yadav (प्रमोद कुमार यादव),प्रमोद कुमार यादव,Ritesh Kumar Dubey (रितेश कुमार दुबे),रितेश कुमार दुबे READ MORE > Thermodynamic modelling of cross-shaped microstructured surfaces for superhydrophobicity applications Yiqing Xue,Yubo Wang,Bo Yuan,Xin Sui,Wenyan Liang READ MORE > On the role of high speed electron beams in the generation of subsonic solitons on electron dynamic timescales S. K. Maharaj,R. Bharuthram READ MORE > Intrinsic localized modes for DNLS equation with competing nonlinearities: Bifurcations G. L. Alfimov,P. A. Korchagin,F. K. Abdullaev READ MORE > Communication: Modeling layered mosaic perovskite alloy microstructures across length scales via a packing algorithm Murray Skolnick,Salvatore Torquato READ MORE > MagSAF: Software for simulating and fitting magnetic hysteresis loops of synthetic antiferromagnets Stephan Glamsch,Matthias Küß,Afan Terko,Andreas Hörner,Erol Girt,Manfred Albrecht READ MORE > Ultrafast non-adiabatic molecular energy conversion into photons induced by quantized electromagnetic fields Arley Flórez López,Johan F. Triana,José Luis Sanz-Vicario READ MORE > Vibrational spectra of materials and molecules from partially adiabatic elevated-temperature centroid molecular dynamics Jorge Castro,George Trenins,Venkat Kapil,Mariana Rossi READ MORE > Chirality-encoded molecular wavefunctions T. Georgiou,J. L. Palma,V. Mujica,R. N. Schwartz,L.-S. Bouchard READ MORE > Giant ferroelectric polarization and multiferroicity of two-dimensional hydrofluorinated SiC Zhao Wang,Zhenqing Li,Jin Li,Chaoyu He,Tao Ouyang,Jianxin Zhong,Chao Tang READ MORE > Graph-based block-diagonalization of full configuration interaction Hamiltonian Hayun Park,Hunpyo Lee READ MORE > Indirect communication between non-Markovian baths Ben S. Humphries,Dale Green,Garth A. Jones READ MORE > State-selective fragmentation of singly ionized HNCS: Experiment and theory Emelie Olsson,Dorothee Schaffner,Ayad Bellili,Måns Wallner,Veronica Daver Ideböhn,Richard J. Squibb,Marco Parriani,Marius Gerlach,Patrick Hemberger,Sven Lundberg,Daniel Cole,Gunnar Nyman,Muneerah Mogren Al Mogren,Ingo Fischer,John H. D. Eland,Raimund Feifel,Majdi Hochlaf READ MORE > Solvation of lithium iodide cluster cations via bridging diamine coordination Yunseop Choi,Junyoung Ahn,Minsu Kim,Jongcheol Seo READ MORE > Theoretical study on the conformational diversity and dynamic effect in Pd-catalyzed atroposelective Suzuki–Miyaura cross coupling Xin-Cheng Xu,Xiao-Xia You,Jian-Sen Wang,Rong-Lin Zhong,Zhong-Min Su READ MORE > An atomic cluster expansion (ACE) potential for water under extreme conditions Jonathan T. Willman,Romain Perriot,Christopher Ticknor READ MORE > Simulating plastic ice VII with the data-driven many-body MB-pol potential Francesco Guidarelli Mattioli,Xuanyu Zhu,Francesco Paesani,Livia E. Bove,John Russo,Francesco Sciortino READ MORE > Dielectric behavior of propylene carbonate solutions with LiPF6, LiClO4, and LiBF4. I. Dielectric relaxation and Raman spectroscopic study Izaya Okae,Jihae Han,Erika Otani,Kota Endo,Mitsunori Nakamoto,Hikari Watanabe,Yasuhiro Umebayashi READ MORE > Dielectric behavior of propylene carbonate solutions with LiPF6, LiClO4, and LiBF4. II. Molecular dynamics simulation study Mitsunori Nakamoto,Kota Endo,Shinichi Katayama,Jihae Han,Erika Otani,Hikari Watanabe,Izaya Okae,Yasuhiro Umebayashi READ MORE > Growth of structural lengthscale in Kob–Andersen binary mixtures: Role of medium range order Sanket Kumawat,Mohit Sharma,Ujjwal Kumar Nandi,Indrajit Tah,Sarika Maitra Bhattacharyya READ MORE > Tuning effect of vanadium substitution on the structural and electronic properties of potassium hollandite surfaces Arun Kingan,Steven T. King,Alyson Abraham,Thanh Le,Haoyue Guo,Amy C. Marschilok,Esther S. Takeuchi,Kenneth J. Takeuchi,Ping Liu READ MORE > Sublattice specificity of magnetization and enthalpy of mixing (ΔHmix) in (Fe, Ni)3P solid solutions revealed by first-principles calculations M. C. Benner,V. R. Manga,T. J. Zega READ MORE > Investigation of size effects and gradient structures on tensile behavior in polycrystalline CoCrNi medium-entropy alloy via molecular dynamics simulations Xiang Zhu,Haibo Zhang,Xiaokai Zheng,Liangliang Chu,Yingkui Sun,Guansuo Dui READ MORE > Minimum theoretical model of viral capsid self-assembly on a spherical scaffold Jason Peña,Leonardo Dagdug,David Reguera READ MORE > Machine learning interatomic potential for predicting the thermal properties of uranium nitride Beihan Chen,Zilong Hua,Jennifer K. Watkins,Linu Malakkal,Marat Khafizov,David H. Hurley,Miaomiao Jin READ MORE > Thermal boundary conductance at the myoglobin–water interface: Heme cooling mechanism in light and heavy water environments F. Yoshimura,T. Yamato READ MORE > Thermo-mechanical coupling in high-speed RDX collisions: How plasticity triggers hotspot formation Siyi Wang,Jianqiao Hu,Li Yu,Huajie Song,Lihong Liang READ MORE > Ultra-low lattice thermal conductivity and superior electronic transport properties endow high thermoelectric performance in Sn0.5Pb0.5O oxide-based superlattice Jipin Peter,Pranjali N. Kulkarni,Shivani Vinod,Raju K. Biswas READ MORE > Manipulation of the anomalous Hall effect in magnetic topological insulator heterostructure MnBi2Te4/Bi2Te3 by Si substrate surface engineering K. Ishihara,S. Ichinokura,S. V. Eremeev,T. T. Sasaki,R. Takada,H. Nishimichi,R. Akiyama,E. V. Chulkov,T. Hirahara READ MORE > 2.3-kV -Ga2O3 heterojunction barrier Schottky diode with Cu anode and robust thermal reliability XiaoHui Wang,MuJun Li,ChenKai Deng,Zilong Xiong,Yang Jiang,Yi Zhang,HaoZhe Yu,Qing Wang,HongYu Yu READ MORE > Skyrmion lattice order controlled by confinement geometry Raphael Gruber,Jan Rothörl,Simon M. Fröhlich,Maarten A. Brems,Fabian Kammerbauer,Maria-Andromachi Syskaki,Elizabeth M. Jefremovas,Sachin Krishnia,Asle Sudbø,Peter Virnau,Mathias Kläui READ MORE > Ferrovalleytricity in 2D multiferroic lattice with self-doped valley carriers Jiexiang Wang,Ying Dai,Baibiao Huang,Yandong Ma,Xinru Li READ MORE > Anomalous polarization evolution associated with pressure-induced topological transitions in black phosphorus Jingyi Liu,Leilei Zhang,Zeyu Wang,Minmin Zhao,Binbin Wu,Haidong Long,Xue Chang,Yu Tao,Minghao Du,Yangbin Wang,Zegao Wang,Li Lei READ MORE > B-Site engineering of the nanocomposite perovskite SrCo0.5−xFeAlx O3 cathode for enhanced ORR kinetics and high-performance low-temperature ceramic fuel cells M. A. K. Yousaf Shah,Xin Tang,Sajid Rauf,Zuhra Tayyab,Yuzheng Lu,Naveed Mushtaq,Muhammad Khalid,Muhammad Shahid Shahrif,Abdulaziz K. Assaifan,Yibin Tian READ MORE > Geometry-controlled spin filtering in MoS2 nanoribbon junctions Ye Jiang,Xin Xue,Wei-Long Shi,Xiaoming Dong,Yinlin Peng,Gongwei Hu,Wei-Yang Wang,Minjiang Dan,Fobao Huang,Qiao Chen 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 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