Volume 258

Computer Physics Communications

Volume 258

1

A hybrid MPI-CUDA approach for nonequispaced discrete Fourier transformation

Yang, Sheng-Chun, Wang, Yong-Lei

Journal:

Computer Physics Communications

Year:

2021

File:

PDF, 3.25 MB

2021

2

An efficient multi-threaded NewtonâRaphson algorithm for strong coupling modeling of multi-physics problems

Akbari, Amir, Giannacopoulos, Dennis

Journal:

Computer Physics Communications

Year:

2021

File:

PDF, 1.40 MB

2021

3

Efficient second-order semi-implicit finite element method for fourth-order nonlinear diffusion equations

Keita, Sana, Beljadid, Abdelaziz, Bourgault, Yves

Journal:

Computer Physics Communications

Year:

2021

File:

PDF, 2.11 MB

2021

4

The Axial HartreeâFock + BCS Code SkyAx

Reinhard, P.-G., Schuetrumpf, B., Maruhn, J.A.

Journal:

Computer Physics Communications

Year:

2021

File:

PDF, 919 KB

2021

5

SOL-KiTâFully implicit code for kinetic simulation of parallel electron transport in the tokamak Scrape-Off Layer

Mijin, S., Antony, A., Militello, F., Kingham, R.J.

Journal:

Computer Physics Communications

Year:

2021

File:

PDF, 1.22 MB

2021

6

Particlization in fluid dynamical simulations of heavy-ion collisions: The iS3D module

McNelis, Mike, Everett, Derek, Heinz, Ulrich

Journal:

Computer Physics Communications

Year:

2021

File:

PDF, 2.13 MB

2021

7

mcrtFOAM: A mesh-agglomeration Monte Carlo ray-tracing solver for radiative transfer in gray semitransparent solids

Fan, Chao, Xia, Xin-Lin, Qiu, Jian, Sun, Chuang

Journal:

Computer Physics Communications

Year:

2021

File:

PDF, 4.11 MB

2021

8

The fast and accurate computation of eigenvalues and eigenfunctions of time-independent one-dimensional SchrÃ¶dinger equations

Baeyens, Toon, Van Daele, Marnix

Journal:

Computer Physics Communications

Year:

2021

File:

PDF, 508 KB

2021

9

TopoAna: A generic tool for the event type analysis of inclusive Monte-Carlo samples in high energy physics experiments

Zhou, Xingyu, Du, Shuxian, Li, Gang, Shen, Chengping

Journal:

Computer Physics Communications

Year:

2021

File:

PDF, 1.08 MB

2021

10

pyHMA: A VASP post-processor for precise measurement of crystalline anharmonic properties using harmonically mapped averaging

Moustafa, Sabry G., Purohit, Apoorva, Schultz, Andrew J., Kofke, David A.

Journal:

Computer Physics Communications

Year:

2021

File:

PDF, 702 KB

2021

11

Acceleration techniques for semiclassical MaxwellâBloch systems: An application to discrete quantum dot ensembles

Glosser, C., Lu, E., Bertus, T.J., Piermarocchi, C., Shanker, B.

Journal:

Computer Physics Communications

Year:

2021

File:

PDF, 2.60 MB

2021

12

Efficient update of determinants for many-electron wave function overlaps

Alonso-JordÃ¡, Pedro, DavidoviÄ, Davor, Sapunar, Marin, Herrero, JosÃ© R., Quintana-OrtÃ, Enrique S.

Journal:

Computer Physics Communications

Year:

2021

File:

PDF, 938 KB

2021

13

NIC-CAGE: An open-source software package for predicting optimal control fields in photo-excited chemical systems

Raza, Akber, Hong, Chengkuan, Wang, Xian, Kumar, Anshuman, Shelton, Christian R., Wong, Bryan M.

Journal:

Computer Physics Communications

Year:

2021

File:

PDF, 1.08 MB

2021

14

Potential energy models of excited compound nucleus

Nadtochy, P.N., Ryabov, E.G., Karpov, A.V., Vanin, D.V., Adeev, G.D.

Journal:

Computer Physics Communications

Year:

2021

File:

PDF, 1.38 MB

2021

15

â Open-source library for the shifted Krylov subspace method of the form

Hoshi, Takeo, Kawamura, Mitsuaki, Yoshimi, Kazuyoshi, Motoyama, Yuichi, Misawa, Takahiro, Yamaji, Youhei, Todo, Synge, Kawashima, Naoki, Sogabe, Tomohiro

Journal:

Computer Physics Communications

Year:

2021

File:

PDF, 806 KB

2021

16

The accuracy of restricted Boltzmann machine models of Ising systems

Yevick, David, Melko, Roger

Journal:

Computer Physics Communications

Year:

2021

File:

PDF, 2.38 MB

2021

17

Accelerating first-principles estimation of thermal conductivity by machine-learning interatomic potentials: A MTP/ShengBTE solution

Mortazavi, Bohayra, Podryabinkin, Evgeny V., Novikov, Ivan S., Rabczuk, Timon, Zhuang, Xiaoying, Shapeev, Alexander V.

Journal:

Computer Physics Communications

Year:

2021

File:

PDF, 2.70 MB

2021

18

TripleK: A Mathematica package for evaluating triple-K integrals and conformal correlation functions

Journal:

Computer Physics Communications

Year:

2021

File:

PDF, 840 KB

2021

19

Inline vector compression for computational physics

Trojak, W., Witherden, F.D.

Journal:

Computer Physics Communications

Year:

2021

File:

PDF, 1.27 MB

2021

20

An effective method to calculate atomic movements in 3D objects with tuneable stochasticity (3DO-SKMF)

Gajdics, Bence, TomÃ¡n, JÃ¡nos J., ErdÃ©lyi, ZoltÃ¡n

Journal:

Computer Physics Communications

Year:

2021

File:

PDF, 480 KB

2021

21

A non-iterative method for vertex corrections of the Kubo formula for electric conductivity

Wei, Yi-Wen, Li, Chao-Kai, Cao, Yuchuang, Feng, Ji

Journal:

Computer Physics Communications

Year:

2021

File:

PDF, 663 KB

2021

22

Editorial Board

Journal:

Computer Physics Communications

Year:

2021

File:

PDF, 329 KB

2021

23

A fluid simulation system based on the MPS method

Buarque Vieira-e-Silva, AndrÃ© Luiz, dos Santos Brito, Caio JosÃ©, MagalhÃ£es SimÃµes, Francisco Paulo, Teichrieb, Veronica

Journal:

Computer Physics Communications

Year:

2021

File:

PDF, 625 KB

2021

24

Efficient parallel linear scaling method to get the response density matrix in all-electron real-space density-functional perturbation theory

Shang, Honghui, Liang, WanZhen, Zhang, Yunquan, Yang, Jinlong

Journal:

Computer Physics Communications

Year:

2021

File:

PDF, 2.67 MB

2021

25

TurboPy: A lightweight python framework for computational physics

Richardson, A.S., Gordon, D.F., Swanekamp, S.B., Rittersdorf, I.M., Adamson, P.E., Grannis, O.S., Morgan, G.T., Ostenfeld, A., Phlips, K.L., Sun, C.G., Tang, G., Watkins, D.J.

Journal:

Computer Physics Communications

Year:

2021

File:

PDF, 668 KB

2021

26

A curved boundary treatment for discontinuous Galerkin method applied to Euler equations on triangular and tetrahedral grids

Yin, Junhui, Xu, Li, Xie, Peng, Zhu, Lan, Huang, Shucheng, Liu, Hangxin, Yang, Zhonghai, Li, Bin

Journal:

Computer Physics Communications

Year:

2021

File:

PDF, 602 KB

2021

27

A new field solver for modeling of relativistic particle-laser interactions using the particle-in-cell algorithm

Li, Fei, Miller, Kyle G., Xu, Xinlu, Tsung, Frank S., Decyk, Viktor K., An, Weiming, Fonseca, Ricardo A., Mori, Warren B.

Journal:

Computer Physics Communications

Year:

2021

File:

PDF, 332 KB

2021

28

CCS: A software framework to generate two-body potentials using Curvature Constrained Splines

A.K., Akshay Krishna, Wadbro, Eddie, KÃ¶hler, Christof, Mitev, Pavlin, Broqvist, Peter, Kullgren, Jolla

Journal:

Computer Physics Communications

Year:

2021

File:

PDF, 34 KB

2021

29

Quantum turbulence simulations using the GrossâPitaevskii equation: High-performance computing and new numerical benchmarks

Kobayashi, Michikazu, Parnaudeau, Philippe, Luddens, Francky, LothodÃ©, Corentin, Danaila, Luminita, Brachet, Marc, Danaila, Ionut

Journal:

Computer Physics Communications

Year:

2021

File:

PDF, 716 KB

2021

30

Special unitary particle pusher for extreme fields

Gordon, D.F., Hafizi, B.

Journal:

Computer Physics Communications

Year:

2021

File:

PDF, 3.22 MB

2021

31

A conservative phase-space moving-grid strategy for a 1D-2V VlasovâFokkerâPlanck Solver

Taitano, W.T., ChacÃ³n, L., Simakov, A.N., Anderson, S.E.

Journal:

Computer Physics Communications

Year:

2021

File:

PDF, 791 KB

2021

32

Efficient Fourier transforms for transverse momentum dependent distributions

Kang, Zhong-Bo, Prokudin, Alexei, Sato, Nobuo, Terry, John

Journal:

Computer Physics Communications

Year:

2021

File:

PDF, 714 KB

2021

33

Controlling particle penetration and depletion at the wall using Dissipative Particle Dynamics

Barcelos, Erika I., Khani, Shaghayegh, Boromand, Arman, Vieira, Luiz F., Lee, J. Alex, Peet, Jeffrey, Naccache, MÃ´nica F., Maia, Joao

Journal:

Computer Physics Communications

Year:

2021

File:

PDF, 2.02 MB

2021

34

A multigrid accelerated eigensolver for the Hermitian WilsonâDirac operator in lattice QCD

Frommer, Andreas, Kahl, Karsten, Knechtli, Francesco, Rottmann, Matthias, Strebel, Artur, Zwaan, Ian

Journal:

Computer Physics Communications

Year:

2021

File:

PDF, 1.22 MB

2021

35

Finite spatial-grid effects in energy-conserving particle-in-cell algorithms

Barnes, D.C., ChacÃ³n, L.

Journal:

Computer Physics Communications

Year:

2021

File:

PDF, 2.69 MB

2021