Metadata management for distributed first principles calculations in VLab - A collaborative cyberinfrastructure for materials computation. - Pedro R. C. da Silveira; Cesar R. S. da Silva; Renata M. Wentzcovitch (Comput. Phys. Commun., 2008)

Virtual laboratory for planetary materials (VLab): an updated overview of system service architecture. - Pedro R. C. da Silveira; M. Núñez Valdez; Renata M. Wentzcovitch; Marlon E. Pierce; Cesar R. S. da Silva; David A. Yuen (TG, 2011)

Ab initio elasticity workflow in the VLab science gateway. - Pedro R. C. da Silveira; Lahiru Gunathilake; Alexander Holiday; Dave A. Yuen; M. Núñez Valdez; Renata M. Wentzcovitch (XSEDE, 2013)

Evolutionary optimization of PAW data-sets for accurate high pressure simulations. - Kanchan Sarkar; Mehmet Topsakal; N. A. W. Holzwarth; Renata M. Wentzcovitch (J. Comput. Phys., 2017)

EPAW-1.0 code for evolutionary optimization of PAW datasets especially for high-pressure applications. - Kanchan Sarkar; N. A. W. Holzwarth; Renata M. Wentzcovitch (Comput. Phys. Commun., 2018)

qha: A Python package for quasiharmonic free energy calculation for multi-configuration systems. - Tian Qin; Qi Zhang 074; Renata M. Wentzcovitch; Koichiro Umemoto (Comput. Phys. Commun., 2019)

phq: A Fortran code to compute phonon quasiparticle properties and dispersions. - Zhen Zhang; Dong-Bo Zhang; Tao Sun; Renata M. Wentzcovitch (Comput. Phys. Commun., 2019)

cij: A Python code for quasiharmonic thermoelasticity. - Chenxing Luo; Xin Deng; Wenzhong Wang; Gaurav Shukla; Zhongqing Wu; Renata M. Wentzcovitch (Comput. Phys. Commun., 2021)

express: Extensible, high-level workflows for swifter ab initio materials modeling. - Qi Zhang 074; Chaoxuan Gu; Jingyi Zhuang; Renata M. Wentzcovitch (Comput. Phys. Commun., 2023)

pgm: A Python package for free energy calculations within the phonon gas model. - Hongjin Wang; Jingyi Zhuang; Zhen Zhang; Qi Zhang 074; Renata M. Wentzcovitch (Comput. Phys. Commun., 2023)