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ORCIDComputer 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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