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ORCIDComputer Physics Communications, Volume 290
Volume 290, September 2023
- Xue Zong
, Jonathan Lym, Dionisios G. Vlachos:
Automated descriptor selection, volcano curve generation, and active site determination using the DescMAP software. 108754
- Prabhat Kumar, Andrew Nonaka, Revathi Jambunathan, Girish Pahwa, Sayeef S. Salahuddin, Zhi Yao:
FerroX: A GPU-accelerated, 3D phase-field simulation framework for modeling ferroelectric devices. 108757 - James Vance, Zhen-Hao Xu, Nikita Tretyakov, Torsten Stuehn, Markus Rampp, Sebastian Eibl, Christoph Junghans, André Brinkmann:
Code modernization strategies for short-range non-bonded molecular dynamics simulations. 108760
- Yong-Chao Wu, Jian-Li Shao:
mdapy: A flexible and efficient analysis software for molecular dynamics simulations. 108764 - Rüdiger Kürsten:
Aligning active particles py package. 108774 - Weishuo Liu, Ziming Song, Jian Fang:
NNPred: Deploying neural networks in computational fluid dynamics codes to facilitate data-driven modeling studies. 108775
- O. P. Shemyakin, P. R. Levashov, P. A. Krasnova:
New features of the TFmix code: Thermodynamic properties of electrons in mixtures. 108776
- Scott Polak, X. Gao:
Fourth-order accurate numerical modeling of the multi-fluid plasma equations with adaptive mesh refinement. 108777 - Ling-Ze Bu, Wei Wang:
Efficient single-grid and multi-grid solvers for real-space orbital-free density functional theory. 108778
- Ki-Ha Kim, Ji Hoon Kang, Xiaomin Pan, Jung-Il Choi:
PaScaL_TCS: A versatile solver for large-scale turbulent convective heat transfer problems with temperature-dependent fluid properties. 108779
- Masayuki Ochi:
Corrigendum to "TC++: First-principles calculation code for solids using the transcorrelated method" [Comput. Phys. Commun. 287 (2023) 108687]. 108781
- R. Tyson, Gagik Gavalian, D. G. Ireland, Bryan McKinnon:
Deep learning level-3 electron trigger for CLAS12. 108783
- Zeying Zhang, Zhi-Ming Yu, Gui-Bin Liu, Zhenye Li, Shengyuan A. Yang, Yugui Yao:
MagneticKP: A package for quickly constructing k⋅p models of magnetic and non-magnetic crystals. 108784
- Mingyu Yang, Ji Hoon Kang, Ki-Ha Kim, Oh-Kyoung Kwon, Jung-Il Choi:
PaScaL_TDMA 2.0: A multi-GPU-based library for solving massive tridiagonal systems. 108785
- Jeffrey G. Ethier, Andrés Córdoba, Jay D. Schieber:
pyDSM: GPU-accelerated rheology predictions for entangled polymers in Python. 108786 - Zhao-Han Zhang, Yang Li, Yi-Jia Mao, Feng He:
QPC-TDSE: A parallel TDSE solver for atoms and small molecules in strong lasers. 108787 - Hojun You, Juhyun Kim, Kyeol Yune, Chongam Kim:
IDEA: Artificial neural network models for 11-species air properties at thermochemical equilibrium. 108788
- Wen-Bin Liu, Dong-Jun Ma, Jianzhen Qian, Ming-Yu Zhang, An-Min He, Nan-Sheng Liu, Pei Wang:
High-accuracy three-dimensional surface detection in smoothed particle hydrodynamics for free-surface flows. 108789 - R. V. Muratov, Pavel N. Ryabov, S. A. Dyachkov:
Dynamic domain decomposition method based on weighted Voronoi diagrams. 108790 - Andreas Stegmeir, T. Body, W. Zholobenko:
Analysis of locally-aligned and non-aligned discretisation schemes for reactor-scale tokamak edge turbulence simulations. 108801
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