MELVILLE, N.Y., September 11, 2025 — AIP Publishing is excited to announce the publication of the first issue of its newest open access journal, APL Computational Physics. The journal offers a dedicated open access platform for groundbreaking research on the rapidly evolving computational models and methods, algorithmic designs, and simulations that are having a profound impact on the physical sciences.
“The launch of the first issue of APL Computational Physics marks an exciting new chapter for our community — one that celebrates breakthroughs at the intersection of physics, chemistry, materials science, applied mathematics, and computer science. We invite you to join us on this exciting journey to build a vibrant computational physics community and inspire the next generation of scientific discovery,” said APL Computational Physics Editor-in-Chief, Prof. Xiaosong Li.
“Prof. Li and the editorial team have launched an important new forum to serve a fast-growing community that is changing the way physical systems are studied and complex problems are solved,” said AIP Publishing’s Chief Publishing Officer Dr. Penelope Lewis. “We look forward to how APL Computational Physics will foster innovation and advance research and discovery through its open access and open data policies.”
In the editorial introducing the first issue, Prof. Li shares that the “first issue features a dynamic collection of scientific discoveries, forward-looking perspectives, and state-of-the-art scientific software contributed by leading researchers from around the world. The research that it showcases pushes the boundaries of theory and computation, and accelerates innovation through the exchange of ideas, methods, and software, and interdisciplinary collaborations.”
One of the unique features of APL Computational Physics is that all data, code, and additional supplementary materials are made publicly available either in a repository of the author’s choosing or within the manuscript itself at the time of manuscript submission. This open data policy supports AIP Publishing’s mission to share science widely by promoting sustainable access models that ensure research is permanent, discoverable, and reusable.
The APL Computational Physics editorial team includes Prof. Xiaosong Li (University of Washington) and Associate Editors Prof. Hongjun Xiang (Fudan University), Prof. Dominika Zgid (University of Michigan), and Prof. Jin Zhao (University of Science and Technology of China).
The following articles are now available online in the first issue of APL Computational Physics:
Editorial:
What is Computational Physics Xiaosong Li
Perspectives:
Dissipative Preparation of Many-Body Quantum States: Towards Practical Quantum Advantage
Lin Lin
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, Yanheng Li, Zhaoxin Xie, Hao Li, Li Yang, Zhiqiang Zhao, Lijiang Yang, Zhenyu Chen and Yi Qin Gao
Articles:
Enhancing PySCF-based Quantum Chemistry Simulations with Modern Hardware, Algorithms, and Python Tools Zhichen Pu and Qiming Sun
Easy attention: A simple attention mechanism for temporal predictions with transformers Marcial Sanchis Agudo, Yuning Wang, Roger Arnau, Luca Guastoni, Jasmin Lim, Karthik Duraisamy and Ricardo Vinuesa
Atomistic Spin Modeling of Spin-Orbit Torque-Driven Magnetization Process in Mn<sub>3</sub>Sn Antiferromagnets Jonathan Qualter and Byoung Chul Choi
FDTD with Auxiliary Bath Fields for Condensed-Phase Polaritonics: Fundamentals and Implementation Tao E. Li
Atomic Confinement Potentials and the Generation of Numerical Atomic Orbitals Hugo Åström and Susi Lehtola
Two-dimensional antiferromagnetic Dirac semimetal: rhombic-MnN<sub>4</sub> Xinlei Zhao, Panjun Feng, Miao Gao, Xun-Wang Yan, Fengjie Ma and Zhongyi Lu
Efficient construction of effective Hamiltonians with a hybrid machine learning method Yang Cheng, Binhua Zhang, Xueyang Li, Hongyu Yu, Changsong Xu and Hongjun Xiang
Energy band calculation for III-V semiconductors: The shell DFT-x-y method Wei Yang, Kan-Hao Xue, Shanzhong Xie, Shengxin Yang and Xiangshui Miao
Electronic structure and optical properties of surface defects in CdS quantum dots from many-body perturbation theory Moses Adeyemo, Gyanu P. Kafle and Zhen-Fei Liu
ABOUT APL COMPUTATIONAL PHYSICS
APL Computational Physics is a dynamic 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. Learn more about the focus and coverage of the journal here.
ABOUT AIP PUBLISHING
AIP Publishing’s mission is to advance, promote, and serve the physical sciences for the benefit of humanity by breaking barriers to open, equitable research communication and empowering researchers to accelerate global progress. AIP Publishing is a wholly owned not-for-profit subsidiary of the American Institute of Physics (AIP) and supports the charitable, scientific, and educational purposes of AIP through scholarly publishing activities on its behalf and on behalf of our publishing partners.