Computer Physics Communications, Volume 261

Volume 261, April 2021

Computational physics

• 
  Zelong Zhao, Yongwei Yang, Qingyu Gao:
  Development and validation of Burn-up Calculation Code IMPC-Burnup2.0 for accelerator-driven sub-critical system. 107343
• 
  Oleg Rubel, Fabien Tran, Xavier Rocquefelte, Peter Blaha:
  Perturbation approach to ab initio effective mass calculations. 107648
• 
  Jinwei Bai, Yong Cao, Xiaoming He, E. Peng:
  An implicit particle-in-cell model based on anisotropic immersed-finite-element method. 107655
• 
  Anthony P. Austin, Mohan Krishnamoorthy, Sven Leyffer, Stephen Mrenna, Juliane Müller, Holger Schulz:
  Practical algorithms for multivariate rational approximation. 107663
• 
  Roch Smets, Nicolas Aunai, Andrea Ciardi, Matthieu Drouin, Martin Campos Pinto, Philip Deegan:
  A new method to dispatch split particles in Particle-In-Cell codes. 107666

Computer programs in physics

• 
  Pierre Arthuis, Alexander Tichai, J. Ripoche, Thomas Duguet:
  ADG: Automated generation and evaluation of many-body diagrams II. Particle-number projected Bogoliubov many-body perturbation theory. 107677
• 
  Taylor A. Barnes, Eliseo Marin-Rimoldi, Samuel Ellis, T. Daniel Crawford:
  The MolSSI Driver Interface Project: A framework for standardized, on-the-fly interoperability between computational molecular sciences codes. 107688

New version announcement

• 
  Andrzej Daniluk, Lucyna Zurawek, Ryszard Zdyb:
  An effective method to calculate RHEED rocking curves from nanoheteroepitaxial systems. 107692

Computer programs in physics

• 
  Max Carlson, Xiaoning Zheng, Hari Sundar, George Em Karniadakis, Robert M. Kirby:
  An open-source parallel code for computing the spectral fractional Laplacian on 3D complex geometry domains. 107695

Computational physics

• 
  Firas Ben Ameur, Andrea Lani:
  r-adaptive algorithms for high-speed flows and plasma simulations. 107700

Computer programs in physics

• 
  Botao Li, Synge Todo, Anthony C. Maggs, Werner Krauth:
  Multithreaded event-chain Monte Carlo with local times. 107702

New version announcement

• 
  Francesc Salvat, Aleksander Jablonski, Cedric J. Powell:
  elsepa - Dirac partial-wave calculation of elastic scattering of electrons and positrons by atoms, positive ions and molecules (New Version Announcement). 107704

Computational physics

• 
  Jie Qiao, Quanlin Jie:
  Density matrix embedding theory of excited states for spin systems. 107712
• 
  Pavlo Bulanchuk:
  On the delta function broadening in the Kubo-Greenwood equation. 107714

Computer programs in physics

• 
  Pawel Jakubczyk, Andrzej Wal, Michal Kaczor, Dorota Jakubczyk, Miroslaw Labuz, Jan Milewski:
  A Maple package for combinatorial aspects of Bethe Ansatz. 107720

New version announcement

• 
  Mario Di Renzo, Sergio Pirozzoli:
  HTR-1.2 solver: Hypersonic Task-based Research solver version 1.2. 107733

Computational physics

• 
  Justin A. Reyes, Dan C. Marinescu, Eduardo R. Mucciolo:
  Simulation of quantum many-body systems on Amazon cloud. 107750

Computer programs in physics

• 
  Jiacheng Gao, QuanSheng Wu, Clas Persson, Zhijun Wang:
  Irvsp: To obtain irreducible representations of electronic states in the VASP. 107760
• 
  Federico Municchi, Nicodemo Di Pasquale, Marco Dentz, Matteo Icardi:
  Heterogeneous Multi-Rate mass transfer models in OpenFOAM®. 107763
• 
  Mino Woo, Robert T. Nishida, Mario A. Schriefl, Marc E. J. Stettler, Adam M. Boies:
  Open-source modelling of aerosol dynamics and computational fluid dynamics: Nodal method for nucleation, coagulation, and surface growth. 107765

Computational physics

• 
  Jin Cui, Yushun Wang, Chaolong Jiang:
  Arbitrarily high-order structure-preserving schemes for the Gross-Pitaevskii equation with angular momentum rotation. 107767
• 
  Xing-Long Lyu, Tiexiang Li, Tsung-Ming Huang, Wen-Wei Lin, Heng Tian:
  The bi-Lebedev scheme for the Maxwell eigenvalue problem with 3D bi-anisotropic complex media. 107769

Computer programs in physics

• 
  Gediminas Gaigalas, D. Kato:
  Crystal field module for the general relativistic atomic structure package. 107772
• 
  Simon May:
  minimal-lagrangians: Generating and studying dark matter model Lagrangians with just the particle content. 107773
• 
  Mingqing Liao, Yong Liu, Shun-Li Shang, Fei Zhou, Nan Qu, Yichuan Chen, Zhonghong Lai, Zi-Kui Liu, Jingchuan Zhu:
  Elastic3rd: A tool for calculating third-order elastic constants from first-principles calculations. 107777
• 
  Vijay Singh, Uthpala Herath, Benny Wah, Xingyu Liao, Aldo H. Romero, Hyowon Park:
  DMFTwDFT: An open-source code combining Dynamical Mean Field Theory with various density functional theory packages. 107778
• 
  Andreu Badal, Diksha Sharma, Christian G. Graff, Rongping Zeng, Aldo Badano:
  Mammography and breast tomosynthesis simulator for virtual clinical trials. 107779
• 
  Kazuma Nakamura, Yoshihide Yoshimoto, Yusuke Nomura, Terumasa Tadano, Mitsuaki Kawamura, Taichi Kosugi, Kazuyoshi Yoshimi, Takahiro Misawa, Yuichi Motoyama:
  RESPACK: An ab initio tool for derivation of effective low-energy model of material. 107781
• 
  Josep Planelles, Juan I. Climente:
  A simple variational quantum Monte Carlo-effective mass approach for excitons and trions in quantum dots. 107782

Computational physics

• 
  Fei Li, Weiming An, Viktor K. Decyk, Xinlu Xu, Mark J. Hogan, Warren B. Mori:
  A quasi-static particle-in-cell algorithm based on an azimuthal Fourier decomposition for highly efficient simulations of plasma-based acceleration: QPAD. 107784
• 
  Alexander Russkov, Roman A. Chulkevich, Lev N. Shchur:
  Algorithm for replica redistribution in an implementation of the population annealing method on a hybrid supercomputer architecture. 107786
• 
  H. Tilaver, Mustafa Salti, Oktay Aydogdu, Evrim Ersin Kangal:
  Deep learning approach to Hubble parameter. 107809

Computer programs in physics

• 
  Scott Fredericks, Kevin Parrish, Dean Sayre, Qiang Zhu:
  PyXtal: A Python library for crystal structure generation and symmetry analysis. 107810
• 
  Mohamed Lahdour, T. El Bardouni, O. El Hajjaji, E. Chakir, H. Ziani, Jamal Al Zain, E. Chham, M. El Barbari:
  OpenNTP: Implementation of the SN method in cartesian 2D geometry and the CP method in cylindrical and spherical 1D geometry. 107812
• 
  Elizabeth J. Robertson, Nikola Sibalic, Robert M. Potvliege, Matthew P. A. Jones:
  ARC 3.0: An expanded Python toolbox for atomic physics calculations. 107814
• 
  Kimberly K. Boddy, Stephen Hill, Jason Kumar, Pearl Sandick, Barmak Shams Es Haghi:
  MADHAT: Model-Agnostic Dark Halo Analysis Tool. 107815

New version announcement

• 
  Victor D. Efros:
  Calculation of coefficients of transformations between three-particle hyperspherical harmonics. 107817

Computer programs in physics

• 
  Prithish Halder:
  JaSTA-3: Light scattering simulations for heterogeneous aggregate. 107818
• 
  Lohan Sartore, Ingo Schienbein:
  PyR@TE 3. 107819

Computational physics

• 
  Carsten Thoma, Dale R. Welch, David V. Rose:
  Implicit highly-coupled single-ion Hall-MHD formulation for hybrid particle-in-cell codes. 107823
• 
  Junxiang Yang, Junseok Kim:
  A variant of stabilized-scalar auxiliary variable (S-SAV) approach for a modified phase-field surfactant model. 107825