First Issue Available Now!

APL Computational Physics first articles now online | 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 First Articles Now Online AIP Publishing is excited to announce the first published articles of APL Computational Physics are now online!   Featured below are all the articles that are now online and included in the first issue. As an open access publication, articles in the journal are always freely available to read, download, and share without a subscription.   And remember, there are no Article Processing Charges (APCs) for submissions through December 31, 2025. Submit your article today! READ THE PRESS RELEASE > View a special message from Editor-in-Chief, Prof. Xiaosong Li EDITORIAL What is Computational Physics? Xiaosong Li READ MORE > PERSPECTIVES Dissipative preparation of many-body quantum states: Toward practical quantum advantage Lin Lin READ MORE > 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 > 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 > ARTICLES 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 > Energy band calculation for III–V semiconductors: The shell DFT-x-y method Wei Yang, Kan-Hao Xue, Shanzhong Xie, Shengxin Yang, et al. READ MORE > Efficient construction of effective Hamiltonians with a hybrid machine learning method Yang Cheng, Binhua Zhang, Xueyang Li, Hongyu Yu, et al. READ MORE > Atomic confinement potentials and the generation of numerical atomic orbitals Hugo Åström, Susi Lehtola READ MORE > Two-dimensional antiferromagnetic Dirac semimetal: Rhombic-MnN4 Yang Cheng, Binhua Zhang, Xueyang Li, Hongyu Yu, et al. READ MORE > FDTD with auxiliary bath fields for condensed-phase polaritonics: Fundamentals and implementation Tao E. Li READ MORE > Atomistic spin modeling of spin-orbit torque-driven magnetization process in Mn3Sn antiferromagnets J. Qualter, B. C. Choi READ MORE > Easy attention: A simple attention mechanism for temporal predictions with transformers Marcial Sanchis-Agudo, Yuning Wang, Roger Arnau, Luca Guastoni, et al. READ MORE > Enhancing PySCF-based quantum chemistry simulations with modern hardware, algorithms, and Python tools Zhichen Pu, Qiming Sun READ MORE > Zero-Embargo Access Without Barriers We believe there has never been a more important time to remove barriers to sharing scientific knowledge. AIP Publishing's liberal green open access policy ensures that researchers can make their accepted manuscripts freely available immediately — with no embargo and no fees. It's a simple, effective way to comply with NIH and other funder public access requirements and expand the reach of your work.   This is just one of the ways AIP Publishing lives up to the promise we made to the global research community when we joined with the American Physical Society and IOP Publishing to form Purpose-Led Publishing — a coalition committed to the simple idea that science is our only shareholder. 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