Diverse Topics in Computational Physics Research

No article processing charges (APCs) for submissions through December 31, 2025 View in Browser SUBMIT AN ARTICLE MANAGE MY ALERTS ABOUT THE JOURNAL APL Computational Physics No Article Processing Charges (APCs) for Submissions Through December 31, 2025 Spanning Diverse Topics in Computational Physics Research APL Computational Physics is a new gold open access platform for the rapidly evolving landscape of physical sciences, where computational techniques drive groundbreaking research. The journal offers a dedicated venue for diverse computational physics models, methods, and simulations across a broad range of physical science disciplines. Emphasizing interdisciplinary approaches, it highlights the integration of computational innovations to tackle complex physical challenges.    Check out the diverse topics that we are covering in the journal and a sample of recently published articles in each category below. We look forward to receiving your submissions in any of the topical areas in computational physics research. To learn more about the focus of the journal, please visit us here.   COMPUTATIONAL SIMULATIONS AND APPLICATIONS A snapshot of time-dependent density-functional theory Carsten A. Ullrich READ MORE > Machine learning intermolecular electronic couplings: Opportunities and challenges Chun-I Wang, Aidan C. Lindsay, Nicholas E. Jackson READ MORE > Electronic frictional effects near metal surfaces with strong correlations Yunhao Liu, Wenjie Dou READ MORE > Electronic structure and optical properties of surface defects in CdS quantum dots from many-body perturbation theory Moses Adeyemo, Gyanu P. Kafle, Zhen-Fei Liu READ MORE > COMPUTATIONAL TECHNIQUES AND METHODOLOGIES SCAN meta-GGA, strong correlation, symmetry breaking, self-interaction correction, and semi-classical limit in density functional theory: Hidden connections and beneficial synergies? John P. Perdew READ MORE > Quantification of chirality using continuous chirality measure (CCM): From molecules to crystals Cong Yang, Shehzad Khan, Dali Sun, Jun Liu READ MORE > Linear-response quantum-electrodynamical density functional theory based on two-component X2C Hamiltonians Lukas Konecny, Valeriia P. Kosheleva, Michael Ruggenthaler, Michal Repisky, et al. READ MORE > QUANTUM COMPUTING IN PHYSICAL SCIENCES Dissipative preparation of many-body quantum states: Toward practical quantum advantage Lin Lin READ MORE > Should it really be that hard to model the chirality induced spin selectivity effect? Jonas Fransson READ MORE > BIG DATA AND PREDICTIVE COMPUTATION Easy attention: A simple attention mechanism for temporal predictions with transformers Marcial Sanchis-Agudo, Yuning Wang, Roger Arnau, Luca Guastoni, et al. READ MORE > Are we there yet? Adventures on a road trip through machine learning as a computational chemist Heather J. Kulik READ MORE > SOFTWARE AND LIBRARY TUTORIALS Enhancing PySCF-based quantum chemistry simulations with modern hardware, algorithms, and Python tools Zhichen Pu, Qiming Sun READ MORE > Spin-dependent excited-state calculations in plane wave linear-response time-dependent density functional theory: Implementation and benchmarking Xinhui Cui, Lingyun Wan, Jie Liu, Jinlong Yang, et al. READ MORE > HIGH-PERFORMANCE COMPUTATION Spin non-collinear real-time time-dependent density-functional theory and implementation in the modern GPU-accelerated INQ code Jacopo Simoni, Xavier Andrade, Wuzhang Fang, Andrew C. Grieder, et al. READ MORE > MULTISCALE AND MULTIPHYSICS MODELING  Large language models as AI agents for digital atoms and molecules: Catalyzing a new era in computational biophysics Yijie Xia, Xiaohan Lin, Zicheng Ma, Jinyuan Hu, et al. READ MORE > ALGORITHMIC AND NUMERICAL ADVANCES A three-dimensional laser ray-tracing methodology for radiation-hydrodynamics simulations Brian M. Haines, Lauren M. Green, Charles R. Ferenbaugh, Michael D. McKay Jr. READ MORE > Tell Us What You Think! Did you like this email? Yes > No >  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 journals@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