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ORCIDComputer Physics Communications, Volume 270
Volume 270, January 2022
- Simon Welker
, Muhamed Amin, Jochen Küpper:
CMInject: Python framework for the numerical simulation of nanoparticle injection pipelines. 108138 - Peter J. Christopher, Andrew Kadis, George S. D. Gordon, Timothy D. Wilkinson:
HoloGen: An open-source toolbox for high-speed hologram generation. 108139 - Rui Ming Zhang, Xuefei Xu, Donald G. Truhlar:
TUMME: Tsinghua University Minnesota Master Equation program. 108140 - Rostislav Duda, Joonas Keski-Rahkonen, Janne Solanpää, Esa Räsänen:
tinie - a software package for electronic transport through two-dimensional cavities in a magnetic field. 108141 - Peter R. Wiecha, Clément Majorel, Arnaud Arbouet, Adelin Patoux, Yoann Brûlé, Gérard Colas des Francs, Christian Girard:
"pyGDM" - new functionalities and major improvements to the python toolkit for nano-optics full-field simulations. 108142 - André H. Hoang, Christopher Lepenik, Vicent Mateu:
REvolver: Automated running and matching of couplings and masses in QCD. 108145 - Armin Scrinzi:
tRecX - An environment for solving time-dependent Schrödinger-like problems. 108146
- Himanshu Saini, Magdalena Laurien, Peter Blaha, Oleg Rubel:
WloopPHI: A tool for ab initio characterization of Weyl semimetals. 108147 - Srikanth Ravipati, Giannis D. Savva, Ilektra-Athanasia Christidi, Roland Guichard, Jens Nielsen, Romain Réocreux, Michail Stamatakis:
Coupling the time-warp algorithm with the graph-theoretical kinetic Monte Carlo framework for distributed simulations of heterogeneous catalysts. 108148 - Erik Bartos:
Numerical multidimensional integration with PyMikor. 108149
- Diógenes R. F. Oliveira, Seth Quackenbush, Laura Reina, Christian Reuschle:
Updates to the one-loop provider NLOX. 108150
- Thomas Deppisch, Florian Herren:
RGE++: A C++ library to solve renormalisation group equations in quantum field theory. 108151
- Wei Xiao, Xiangyue Li, Peijie Li, Tengfei Zhang, Xiaojing Liu:
High-fidelity multi-physics coupling study on advanced heat pipe reactor. 108152
- Zeying Zhang, Zhi-Ming Yu, Gui-Bin Liu, Yugui Yao:
MagneticTB: A package for tight-binding model of magnetic and non-magnetic materials. 108153
- Weiyi Wang, Zhijun Tan:
A simple augmented IIM for 3D incompressible two-phase Stokes flows with interfaces and singular forces. 108154
- Phuong Mai Dinh, Marc Vincendon, François Coppens, Eric Suraud, Paul-Gerhard Reinhard:
Quantum Dissipative Dynamics (QDD): A real-time real-space approach to far-off-equilibrium dynamics in finite electron systems. 108155 - Saaketh Desai, Samuel Temple Reeve, James F. Belak:
Implementing a neural network interatomic model with performance portability for emerging exascale architectures. 108156
- Lucio Santi, Joaquín Fernández, Ernesto Kofman, Rodrigo D. Castro:
retQSS: A novel methodology for efficient modeling and simulation of particle systems in reticulated geometries. 108157 - Stephen Eckel, Daniel S. Barker, Eric B. Norrgard, Julia Scherschligt:
PyLCP: A Python package for computing laser cooling physics. 108166 - Janek Kozicki, Anton Gladky, Klaus Thoeni:
Implementation of high-precision computation capabilities into the open-source dynamic simulation framework YADE. 108167 - Braden Kronheim, Michelle P. Kuchera, Harrison B. Prosper:
TensorBNN: Bayesian inference for neural networks using TensorFlow. 108168 - Simone Rodini:
Analytical derivatives of neural networks. 108169 - Zhengzheng Yan, Rongliang Chen, Xiao-Chuan Cai:
Large eddy simulation of the wind flow in a realistic full-scale urban community with a scalable parallel algorithm. 108170
- Peng-fei Zhao, Lei Ye, Nong Xiang:
Corrigendum to "Time diffusion method for gyrokinetic simulation of electrostatic turbulence with kinetic electrons" [Comput. Phys. Commun. 269 (2021) 108114]. 108172
- Jan Scheffel, Kristoffer Lindvall:
Temporal smoothing - A step forward for time-spectral methods. 108173
- Subodh Khire, Nityananda Sahu, Shridhar R. Gadre:
MTASpec software for calculating the vibrational IR and Raman spectra of large molecules at ab initio level. 108175 - Oliver Weismantel, Aikaterini A. Galata, Morteza Sadeghi, Achim Kröger, Martin Kröger:
Efficient generation of self-avoiding, semiflexible rotational isomeric chain ensembles in bulk, in confined geometries, and on surfaces. 108176 - Saurabh Shivpuje, Abhijit Chatterjee:
TPMD toolkit: A toolkit for studying rate processes using molecular dynamics trajectories and performing temperature programmed molecular dynamics calculations. 108177 - Alexey Nazarov, Anatoly I. Ivanov:
Principles of modeling the fluorescence spectral dynamics of dye molecules in solutions. 108178 - Zherui Han, Xiaolong Yang, Wu Li, Tianli Feng, Xiulin Ruan:
FourPhonon: An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity. 108179 - Zhong-Li Liu, Chinedu Ekuma, Wei-Qi Li, Jian-Qun Yang, Xingji Li:
ElasTool: An automated toolkit for elastic constants calculation. 108180 - Konstantin Herb, Pol Welter:
Parallel time integration using Batched BLAS (Basic Linear Algebra Subprograms) routines. 108181
- Laurent Orgogozo:
RichardsFoam3: A new version of RichardsFoam for continental surfaces hydrogeology modelling. 108182
- Keding Yan, Shuwei Yang, Yingran Zhao, Chao Ma, Ying Jin, Shouyu Wang:
Deep learning for light scattering computation: Reconstructing light scattering fields from 1-D randomly rough surfaces as an example. 108183
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