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Computer Physics Communications, Volume 284
Volume 284, March 2023
- Tammo van der Heide
, Jolla Kullgren, Peter Broqvist
, V. Bacic, Thomas Frauenheim, Bálint Aradi:
Fortnet, a software package for training Behler-Parrinello neural networks. 108580 - B. Ananthanarayan, Souvik Bera
, S. Friot, O. Marichev, Tanay Pathak
:
On the evaluation of the Appell F2 double hypergeometric function. 108589
- Ondrej Kincl, Michal Pavelka
:
Globally time-reversible fluid simulations with smoothed particle hydrodynamics. 108593
- Emanuel A. Martínez
, Juan I. Beltrán Fínez
, Flavio Y. Bruno
:
BinPo: An open-source code to compute the band structure of two-dimensional electron systems. 108595 - Oliver C. Gorton
, Calvin W. Johnson, Changfeng Jiao
, Jonathan Nikoleyczik:
dmscatter: A fast program for WIMP-nucleus scattering. 108597 - Davide Candoli
, Ilija K. Nikolov
, Lucas Z. Brito, Stephen Carr
, Samuele Sanna
, Vesna Mitrovic
:
PULSEE: A software for the quantum simulation of an extensive set of magnetic resonance observables. 108598 - Yunguo Li
, Huaiwei Ni:
MD2D: A python module for accurate determination of diffusion coefficient from molecular dynamics. 108599 - Vladimir Horvat
:
FITEVT: A FORTRAN program for arrival-time analysis of nuclear-decay events. 108600 - Marco Crialesi-Esposito
, Nicolò Scapin, Andreas D. Demou, Marco Edoardo Rosti
, Pedro Costa
, Filippo Spiga, Luca Brandt:
FluTAS: A GPU-accelerated finite difference code for multiphase flows. 108602
- Cecilia Pagliantini, Gianmarco Manzini, Oleksandr Koshkarov
, Gian Luca Delzanno, Vadim Roytershteyn
:
Energy-conserving explicit and implicit time integration methods for the multi-dimensional Hermite-DG discretization of the Vlasov-Maxwell equations. 108604 - Adrian S. Sabau
, Lang Yuan
, Jean-Luc Fattebert
, John A. Turner:
An OpenMP GPU-offload implementation of a non-equilibrium solidification cellular automata model for additive manufacturing. 108605
- Victor Kalt, Georges Sadaka, Ionut Danaila
, Frédéric Hecht:
Identification of vortices in quantum fluids: Finite element algorithms and programs. 108606 - Kaikai Feng, Peng Tian, Jun Zhang
, Fei Fei, Dongsheng Wen:
SPARTACUS: An open-source unified stochastic particle solver for the simulation of multiscale nonequilibrium gas flows. 108607
- Guixun Zhu
, Jason Hughes, Siming Zheng
, Deborah Greaves:
A novel MPI-based parallel smoothed particle hydrodynamics framework with dynamic load balancing for free surface flow. 108608
- Christos Mystilidis
, Xuezhi Zheng, Guy A. E. Vandenbosch:
OpenSANS: A Semi-Analytical solver for Nonlocal plasmonicS. 108609 - Lukasz Mioduszewski
, Jakub Bednarz, Mateusz Chwastyk, Marek Cieplak:
Contact-based molecular dynamics of structured and disordered proteins in a coarse-grained model: Fixed contacts, switchable contacts and those described by pseudo-improper-dihedral angles. 108611
- Baoxia Li
, Yang Liu
, Xiaojiang Tang, Guannan Shi, Haoyu Qi, Xin Liu, Eric Robert, Feng Huang
:
Effects of dust particle number on the structure and dynamics in a binary complex plasma system by Langevin dynamics simulation. 108612
- Mesut Karakoç:
BiFold: A Python code for the calculation of double-folded (bifold) potentials with density-in/dependent nucleon-nucleon interactions. 108613 - J. M. Vergara, Miguel Eduardo Mora-Ramos, E. Flórez, J. D. Correa
:
SPIN: [S]imple [P]ython [I]pywidgets [N]otebook interface to obtain the optoelectronic properties of materials employing DFT. 108614 - Yu-Liang Yan
, Dai-Mei Zhou, An-Ke Lei
, Xiao-Mei Li, Xiao-Ming Zhang, Liang Zheng, Gang Chen, Xu Cai, Ben-Hao Sa:
Revisiting the centrality definition and observable centrality dependence of relativistic heavy-ion collisions in PACIAE model. 108615 - Yasuyo Hatano, Shigeyoshi Yamamoto
:
AIHFLTF: Integrals in Laguerre function bases for electronic structure calculations in atoms. 108623
- Jan Eichstädt, Joaquim Peiró, David Moxey
:
Efficient vectorised kernels for unstructured high-order finite element fluid solvers on GPU architectures in two dimensions. 108624
- Tong Wu
, Denis Arrivault, Wei Yan, Philippe Lalanne:
Modal analysis of electromagnetic resonators: User guide for the MAN program. 108627
- Samuel A. Maloney
, Ben F. McMillan:
A partially mesh-free scheme for representing anisotropic spatial variations along field lines: Conservation, quadrature, and the delta property. 108629 - Jose López-Miralles
, José-María Martí, Manel Perucho:
On the application of Jacobian-free Riemann solvers for relativistic radiation magnetohydrodynamics under M1 closure. 108630 - Jun Tang
:
A full-potential and multiscale computational scheme for interactions between ultrafast intense laser pulses and condensed medium. 108633 - Yujie Wang
, Shengquan Wang
, Xuerui Zhang, Guangyao Li, Yong Cai:
Fine-grained heterogeneous parallel direct solver for finite element problems. 108637
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