- 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. Comput. Phys. Commun. 267: 108056 (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. Comput. Phys. Commun. 267: 108033 (2021) - Xiao Zhang, Sebastian Achilles, Jan Winkelmann, Roland Haas, André Schleife, Edoardo Di Napoli:
Solving the Bethe-Salpeter equation on massively parallel architectures. Comput. Phys. Commun. 267: 108081 (2021) - Ang Zhang, Jinglian Du, Zhipeng Guo, Qigui Wang, Shoumei Xiong:
Evolution of specific interface area during solidification: A three-dimensional thermosolutal phase-field study. Comput. Phys. Commun. 267: 108042 (2021) - 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. Comput. Phys. Commun. 267: 108066 (2021) - Daye Zheng, Xinguo Ren, Lixin He:
Accurate stress calculations based on numerical atomic orbital bases: Implementation and benchmarks. Comput. Phys. Commun. 267: 108043 (2021) - Ben Zhu, Haruki Seto, Xueqiao Xu, Masatoshi Yagi:
Drift reduced Landau fluid model for magnetized plasma turbulence simulations in BOUT++ framework. Comput. Phys. Commun. 267: 108079 (2021) - V. Zhuravlev, Michal Hermanowicz, Marek T. Michalewicz:
EQMO: Equation of motion method for efficient electronic structure calculations. Comput. Phys. Commun. 267: 108064 (2021)