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APL Computational Physics is a peer-reviewed journal published by AIP Publishing, covering Advanced Chemical Physics Studies, Machine Learning in Materials Science, Spectroscopy and Quantum Chemical Studies. Over its lifetime it has published 62 papers, which have received 82 citations.
| Publisher | AIP Publishing |
|---|---|
| Reference style | Numbered (AIP) Numbered — [1], [2] in the text [1] A. Smith, B. Jones, and C. Lee, APL Computational Physics 12, 45 (2023).
Formats any DOI in APL Computational Physics style. No sign-up. |
| Publishes research in | Advanced Chemical Physics Studies Machine Learning in Materials Science Spectroscopy and Quantum Chemical Studies Quantum many-body systems Quantum Information and Cryptography |
| Papers published last year | ≈32 |
| ISSN | 3066-0017 |
| Citation impact (2-yr) | 1.32 |
| h-index | 6 |
| i10-index | 1 |
| Top institutions publishing here | University of Washington |
| You get | A submission-ready PDF and the editable LaTeX source — ready to submit. |
While dissipation has traditionally been viewed as an obstacle to quantum coherence, it is increasingly recognized as a powerful computational resource. Dissipative protocols can prepare complex many-body quantum states by leveraging engineered system–environment interactions. This essay focuses on a class of algorithms that utilize algorithmically constructed Lindblad generators and highlight recent advances enabling the preparation…
The SCAN (strongly constrained and appropriately normed) meta-generalized gradient approximation (meta-GGA) for the exchange–correlation energy was constructed to satisfy 17 exact mathematical constraints and to fit non-bonded, normally correlated appropriate norms. It provides an excellent predictive description of the ground-state energies and electron spin densities of normally correlated systems in the absence of strong self-interaction…
Time-dependent density functional theory (TDDFT) is an extension of ground-state density-functional theory, which allows the treatment of electronic excited states and a wide range of time-dependent phenomena in the linear and nonlinear regime, including coupled electron–nuclear dynamics. TDDFT is a vibrant field with many exciting applications in physics, (bio)chemistry, materials science, and other areas. This…
The chirality induced spin selectivity effect remains a challenge to capture with theoretical modeling. While at least a decade was spent on independent electron models, which completely fail to reproduce the experimental results, the lesson to be drawn out of these efforts is that a correct modeling of the effect has to include interactions among…
The PySCF package has emerged as a powerful and flexible open-source platform for quantum chemistry simulations.However, the efficiency of electronic structure calculations can vary significantly depending on the choice of computational techniques and hardware utilization.In this paper, we explore strategies to enhance research productivity and computational performance in PySCF-based simulations.First, we discuss graphics processing unit…
