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ORCIDComputer Physics Communications, Volume 286
Volume 286, May 2023
- Kirk H. Bevan
, Botong Miao, Asif Iqbal:
SLJCompact: A semiconductor-liquid junction solver for rapid band diagram insights into photoelectrochemical devices. 108638 - Tom Herschberg, Kyle Pifer, Eleni Panagiotou:
A computational package for measuring Topological Entanglement in Polymers, Proteins and Periodic systems (TEPPP). 108639
- Zhijun Tan, Le Chen, Junxiang Yang:
Generalized Allen-Cahn-type phase-field crystal model with FCC ordering structure and its conservative high-order accurate algorithm. 108656 - Yutong He, Alexey Arefiev:
Algorithm for computing the electron-positron yield from the linear Breit-Wheeler process in high-intensity laser-plasma interactions. 108657 - Mehmet Adil Yalçin, I. Temizer:
Hybrid finite element / multipole expansion method for atomic Kohn-Sham density functional theory calculations. 108658 - Kengo Nishio:
Cluster classification by chemi-topology. 108659
- Xiaofeng He, Kun Wang, Tiegang Liu, Yiwei Feng, Bin Zhang, Weixiong Yuan, Xiaojun Wang:
HODG:high-order discontinuous Galerkin methods for solving compressible Euler and Navier-Stokes equations - an open-source component-based development framework. 108660 - Alexander Gusev, Evgeni A. Solov'ev, Sergue I. Vinitsky:
ARSENY: A program for computing inelastic transitions via hidden crossings in one-electron atomic ion-ion collisions with classical description of nuclear motion. 108662
- Vincent F. Giangaspero, Vatsalya Sharma, Johannes Laur, Jan Thoemel, Alessandro Munafò, Andrea Lani, Stefaan Poedts:
3D ray tracing solver for communication blackout analysis in atmospheric entry missions. 108663
- Dominik Gehringer, Martin Friák, David Holec:
Models of configurationally-complex alloys made simple. 108664 - Jannis Teunissen, Francesca Schiavello:
Geometric multigrid method for solving Poisson's equation on octree grids with irregular boundaries. 108665 - Zheng Gong, Zi Wu, Chenge An, Bangwen Zhang, Xudong Fu:
CP3d: A comprehensive Euler-Lagrange solver for direct numerical simulation of particle-laden flows. 108666 - Khanh Dang, Jie Chen, Brian Rodgers, Saryu Fensin:
LAVA 1.0: A general-purpose python toolkit for calculation of material properties with LAMMPS and VASP. 108667
- Yi-Kai Kan, Franz X. Kärtner, Sabine Le Borne, Jens-Peter M. Zemke:
Relativistic space-charge field calculation by interpolation-based treecode. 108668
- Luis E. Young-S., Paulsamy Muruganandam, Antun Balaz, Sadhan K. Adhikari:
OpenMP Fortran programs for solving the time-dependent dipolar Gross-Pitaevskii equation. 108669
- M. V. Araújo, M. Begalli, W. S. Freund, G. I. Gonçalves, M. Khandoga, B. Laforge, A. Leopold, J. L. Marin, B. S.-M. Peralva, João V. F. Pinto, M. S. Santos, José Manoel de Seixas, Eduardo F. Simas Filho, Edmar Egidio Purcino de Souza:
Lorenzetti Showers - A general-purpose framework for supporting signal reconstruction and triggering with calorimeters. 108671 - Hojun You, Juhyun Kim, Chongam Kim:
Deneb: An open-source high-performance multi-physical flow solver based on high-order DRM-DG method. 108672
- Stefano Oliani, Nicola Casari, Mauro Carnevale:
ICSFoam: An OpenFOAM library for implicit coupled simulations of high-speed flows. 108673 - Germain Clavier, Aidan P. Thompson:
Computation of the thermal elastic constants for arbitrary manybody potentials in LAMMPS using the stress-fluctuation formalism. 108674 - Guohua Cao, Chuanqi Xu, Ping Cui, Zhenyu Zhang:
Universal scaling between on-site Coulomb repulsion and numbers of core and valence electrons in transition metal trichalcogenides. 108682 - Fernando Gómez-Ortiz, Nayara Carral-Sainz, James Sifuna, Virginia Monteseguro, Ramón Cuadrado, Pablo García-Fernández, Javier Junquera:
Compatibility of DFT+U with non-collinear magnetism and spin-orbit coupling within a framework of numerical atomic orbitals. 108684 - Manoj Kumar, Martin Weigel:
Quasi-exact ground-state extrapolation for the random-field Potts model. 108685
- Nguyen Tan Viet, Nguyen Thi Chuong, Vu Thi Ngoc Huyen, Le Bin Ho:
tqix.pis: A toolbox for quantum dynamics simulation of spin ensembles in Dicke basis. 108686 - Ali Behcet Alpat, Abdullah Coban, Hakan Kaya, Giovanni Bartolini:
MRADSIM-Converter: A new software for STEP to GDML conversion. 108688
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