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ORCIDComputer Physics Communications, Volume 267
Volume 267, October 2021
- Vei Wang
, Nan Xu, Jin-Cheng Liu, Gang Tang, Wen-Tong Geng:
VASPKIT: A user-friendly interface facilitating high-throughput computing and analysis using VASP code. 108033
- C. U. Schuster, T. Johnson, Gergely Papp, R. Bilato, Seppo Sipilä, Jari Varje, Markus Hasenöhrl:
Moment-preserving and mesh-adaptive reweighting method for rare-event sampling in Monte-Carlo algorithms. 108041 - Ang Zhang, Jinglian Du, Zhipeng Guo, Qigui Wang, Shoumei Xiong:
Evolution of specific interface area during solidification: A three-dimensional thermosolutal phase-field study. 108042 - Daye Zheng, Xinguo Ren, Lixin He:
Accurate stress calculations based on numerical atomic orbital bases: Implementation and benchmarks. 108043 - Maciej Matyka, Michal Dzikowski:
Memory-efficient Lattice Boltzmann Method for low Reynolds number flows. 108044 - Honghui Shang, Xiaohui Duan, Fang Li, Libo Zhang, Zhiqian Xu, Kan Liu, Haiwen Luo, Yingrui Ji, Wenxuan Zhao, Wei Xue, Li Chen, Yunquan Zhang:
Many-core acceleration of the first-principles all-electron quantum perturbation calculations. 108045 - Guilherme S. Costa, Silvio C. Ferreira:
Simple quasistationary method for simulations of epidemic processes with localized states. 108046 - Aleksei V. Ivanov, Elvar Örn Jónsson, Tejs Vegge, Hannes Jónsson:
Direct energy minimization based on exponential transformation in density functional calculations of finite and extended systems. 108047
- Mark E. Turiansky, Audrius Alkauskas, Manuel Engel, Georg Kresse, Darshana Wickramaratne, Jimmy-Xuan Shen, Cyrus E. Dreyer, Chris G. Van de Walle:
Nonrad: Computing nonradiative capture coefficients from first principles. 108056 - Michele Renda, D. A. Ciubotaru, C. I. Banu:
Betaboltz: A Monte-Carlo simulation tool for gas scattering processes. 108057 - Roman N. Lee:
Libra: A package for transformation of differential systems for multiloop integrals. 108058 - Maria Osorno, Malte Schirwon, N. Kijanski, Rakulan Sivanesapillai, Holger Steeb, Dominik Göddeke:
A cross-platform, high-performance SPH toolkit for image-based flow simulations on the pore scale of porous media. 108059
- Heitor P. Casagrande, Dario Poletti, Gabriel T. Landi:
Analysis of a density matrix renormalization group approach for transport in open quantum systems. 108060
- Luiz Carlos Chamon, B. V. Carlson, Leandro R. Gasques:
São Paulo potential version 2 (SPP2) and Brazilian nuclear potential (BNP). 108061 - N. Mohankumar, A. Natarajan:
InvFD, an OCTAVE routine for the numerical inversion of the Fermi-Dirac integral. 108062 - David J. Lusher, Satya P. Jammy, Neil D. Sandham:
OpenSBLI: Automated code-generation for heterogeneous computing architectures applied to compressible fluid dynamics on structured grids. 108063
- V. Zhuravlev, Michal Hermanowicz, Marek T. Michalewicz:
EQMO: Equation of motion method for efficient electronic structure calculations. 108064
- Vicent Giménez Alventosa, V. Giménez Gómez, Sandra Oliver:
PenRed: An extensible and parallel Monte-Carlo framework for radiation transport based on PENELOPE. 108065 - Chi Zhang, Massoud Rezavand, Yujie Zhu, Yongchuan Yu, Dong Wu, Wenbin Zhang, Jianhang Wang, Xiangyu Hu:
SPHinXsys: An open-source multi-physics and multi-resolution library based on smoothed particle hydrodynamics. 108066 - Chenxing Luo, Xin Deng, Wenzhong Wang, Gaurav Shukla, Zhongqing Wu, Renata M. Wentzcovitch:
cij: A Python code for quasiharmonic thermoelasticity. 108067 - Sobhit Singh, Logan Lang, Viviana Dovale-Farelo, Uthpala Herath, Pedram Tavadze, François-Xavier Coudert, Aldo H. Romero:
MechElastic: A Python library for analysis of mechanical and elastic properties of bulk and 2D materials. 108068 - Samuel Abreu, Jerry Dormans, Fernando Febres Cordero, H. Ita, Manfred Kraus, Ben Page, Evgenij Pascual, Michael Ruf, Vasily Sotnikov:
Caravel: A C++ framework for the computation of multi-loop amplitudes with numerical unitarity. 108069 - Jonas Karthein, D. Atanasov, K. Blaum, D. Lunney, Vladimir Manea, M. Mougeot:
Analysis methods and code for very high-precision mass measurements of unstable isotopes. 108070
- Stefan Schnabel, Wolfhard Janke:
Wang-Landau simulations with non-flat distributions. 108071 - Jeffrey C. Heylmun, Rodney O. Fox, Alberto Passalacqua:
A quadrature-based moment method for the evolution of the joint size-velocity number density function of a particle population. 108072
- Bulut Tekgül, Petteri Peltonen, Heikki Kahila, Ossi Kaario, Ville Vuorinen:
DLBFoam: An open-source dynamic load balancing model for fast reacting flow simulations in OpenFOAM. 108073
- Pablo Sánchez-Puga, Javier Tajuelo, Juan Manuel Pastor, Miguel Ángel Rubio:
BiconeDrag updated - A data processing application for the oscillating conical bob interfacial shear rheometer. 108074
- Corey Melnick, Patrick Semon, Kwangmin Yu, Nicholas D'Imperio, André-Marie Tremblay, Gabriel Kotliar:
Accelerated impurity solver for DMFT and its diagrammatic extensions. 108075
- Mike McNelis, Dennis Bazow, Ulrich Heinz:
Anisotropic fluid dynamical simulations of heavy-ion collisions. 108077 - Hoon Ryu, Seungmin Lee:
Cost-efficient simulations of large-scale electronic structures in the standalone manycore architecture. 108078 - Ben Zhu, Haruki Seto, Xueqiao Xu, Masatoshi Yagi:
Drift reduced Landau fluid model for magnetized plasma turbulence simulations in BOUT++ framework. 108079 - Hongxin Qi, Yuheng Wang, Jie Zhang, Xianghui Wang, Jianguo Wang:
Explicit high-order exponential time integrator for discontinuous Galerkin solution of Maxwell's equations. 108080 - Xiao Zhang, Sebastian Achilles, Jan Winkelmann, Roland Haas, André Schleife, Edoardo Di Napoli:
Solving the Bethe-Salpeter equation on massively parallel architectures. 108081
- Thomas Kittelmann, Xiao-Xiao Cai:
Elastic neutron scattering models for NCrystal. 108082
- Amparo Gil, Javier Segura, Nico M. Temme:
GammaCHI: A package for the inversion and computation of the gamma and chi-square cumulative distribution functions (central and noncentral). New version announcement. 108083
- Igor Gayday, Alexander Teplukhin, Jonathan Moussa, Dmitri Babikov:
SpectrumSDT: A program for parallel calculation of coupled rotational-vibrational energies and lifetimes of bound states and scattering resonances in triatomic systems. 108084 - Renato M. Fonseca:
GroupMath: A Mathematica package for group theory calculations. 108085 - Gediminas Gaigalas, Stephan Fritzsche:
Angular coefficients for symmetry-adapted configuration states in jj-coupling. 108086
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