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Computer Physics Communications, Volume 280
Volume 280, November 2022
- Jason Kaye
, Kun Chen, Hugo U. R. Strand
:
libdlr: Efficient imaginary time calculations using the discrete Lehmann representation. 108458
- Guoda Xie
, Ming Fang, Zhixiang Huang, Xingang Ren, Xianliang Wu:
A unified 3-D simulating framework for Debye-type dispersive media and PML technique based on recursive integral method. 108463
- Logan Bishop-Van Horn
, Kathryn A. Moler
:
SuperScreen: An open-source package for simulating the magnetic response of two-dimensional superconducting devices. 108464 - Yuichi Motoyama, Kazuyoshi Yoshimi, Izumi Mochizuki, Harumichi Iwamoto, Hayato Ichinose, Takeo Hoshi
:
Data-analysis software framework 2DMAT and its application to experimental measurements for two-dimensional material structures. 108465 - Alexander Humeniuk
, William J. Glover
:
Efficient CPU and GPU implementations of multicenter integrals over long-range operators using Cartesian Gaussian functions. 108467 - Hossam Elazab, B. D. E. McNiven, J. P. F. LeBlanc
:
LIBAMI: Implementation of algorithmic Matsubara integration. 108469 - Loris Ercole, Riccardo Bertossa
, Sebastiano Bisacchi, Stefano Baroni
:
SporTran: A code to estimate transport coefficients from the cepstral analysis of (multivariate) current time series. 108470 - Igor Brandão
, Daniel Tandeitnik
, Thiago Guerreiro:
QuGIT: A numerical toolbox for Gaussian quantum states. 108471
- Davide Di Giusto
, Jony Castagna:
A scalable algorithm for many-body dissipative particle dynamics using multiple general purpose graphic processing units. 108472
- Sambit Das
, Phani Motamarri
, Vishal Subramanian
, David M. Rogers, Vikram Gavini
:
DFT-FE 1.0: A massively parallel hybrid CPU-GPU density functional theory code using finite-element discretization. 108473
- Emmanuel Lorin, Xu Yang
:
Time-dependent Dirac Equation with Physics-Informed Neural Networks: Computation and Properties. 108474 - Arnau Albà
, Jimin Seok
, Andreas Adelmann
, Scott Doran, Gwanghui Ha, Soonhong Lee, Yinghu Piao, John Power, Maofei Qian, Eric Wisniewski, Joseph Xu, Alexander Zholents:
Benchmarking collective effects of electron interactions in a wiggler with OPAL-FEL. 108475 - Alexis Mercenne
, Kristina D. Launey
, Tomás Dytrych
, Jutta E. Escher, Sofia Quaglioni, Grigor H. Sargsyan
, Daniel Langr
, Jerry P. Draayer:
Efficacy of the symmetry-adapted basis for ab initio nucleon-nucleus interactions for light- and intermediate-mass nuclei. 108476 - Antonio Bjelcic, Tamara Niksic
, Zlatko Drmac:
Chebyshev kernel polynomial method for efficient calculation of the quasiparticle random phase approximation response function. 108477 - Mingqing Liao
, Yong Liu, Fei Zhou, Tianyi Han, Danni Yang, Nan Qu, Zhonghong Lai, Zi-Kui Liu, Jingchuan Zhu:
A high-efficient strain-stress method for calculating higher-order elastic constants from first-principles. 108478
- Patrick R. Johnson
, Chad E. Sosolik
:
SAFARI - A low and hyperthermal energy ion scattering simulation. 108479
- Naoya Yamaguchi
, Fumiyuki Ishii
:
First-principles LCPAO approach for insulators under finite electric fields with forces. 108487
- Benjamin M. Huddart
, Alberto Hernández-Melián
, Thomas J. Hicken
, Matjaz Gomilsek
, Zachary Hawkhead
, S. J. Clark, F. L. Pratt, Tom Lancaster
:
MuFinder: A program to determine and analyse muon stopping sites. 108488
- Fabio Cassini
, Lukas Einkemmer
:
Efficient 6D Vlasov simulation using the dynamical low-rank framework Ensign. 108489
- T. Uhlírová, Jaroslav Zamastil
, Jakub Benda
:
Calculation of atomic integrals between relativistic functions by means of algebraic methods. 108490
- Igor Krivenko
, Andrey Mishchenko:
TRIQS/SOM 2.0: Implementation of the stochastic optimization with consistent constraints for analytic continuation. 108491 - Stavros-Richard G. Christopoulos
, George I. Tsagiannis, Konstantina Papadopoulou
, Nicholas V. Sarlis
:
VISROC 2.0: Updated Software for the Visualization of the significance of Receiver Operating Characteristics based on confidence ellipses. 108492
- Ellen Dautzenberg
, Simon van Hurne, Maarten M. J. Smulders
, Louis C. P. M. de Smet
:
GraphIAST: A graphical user interface software for Ideal Adsorption Solution Theory (IAST) calculations. 108494
- Nian Yang, Haijian Yang, Chao Yang:
Multilevel field-split preconditioners with domain decomposition for steady and unsteady flow problems. 108496
- Guangdong Liu
, Richard Marchand:
Inference of m-NLP data using radial basis function regression with center-evolving algorithm. 108497 - Tommaso Gorni
, Oscar Baseggio, Pietro Delugas, Stefano Baroni
, Iurii Timrov
:
turboMagnon - A code for the simulation of spin-wave spectra using the Liouville-Lanczos approach to time-dependent density-functional perturbation theory. 108500
- Makrand A. Khanwale
, Kumar Saurabh
, Milinda Fernando, Victor M. Calo, Hari Sundar, James A. Rossmanith
, Baskar Ganapathysubramanian
:
A fully-coupled framework for solving Cahn-Hilliard Navier-Stokes equations: Second-order, energy-stable numerical methods on adaptive octree based meshes. 108501
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