Renata M. Wentzcovitch

Publication Activity (10 Years)

Years Active: 2008-2023
Publications (10 Years): 7

Top Topics

Development Tools

Structural Design

Top Venues

Comput. Phys. Commun.

J. Comput. Phys.

Publications

Hongjin Wang, Jingyi Zhuang, Zhen Zhang, Qi Zhang, Renata M. Wentzcovitch
pgm: A Python package for free energy calculations within the phonon gas model. Comput. Phys. Commun. 291 (2023)
Qi Zhang, Chaoxuan Gu, Jingyi Zhuang, Renata M. Wentzcovitch
materials modeling. Comput. Phys. Commun. 282 (2023)
Chenxing Luo, Xin Deng, Wenzhong Wang, Gaurav Shukla, Zhongqing Wu, Renata M. Wentzcovitch
cij: A Python code for quasiharmonic thermoelasticity. Comput. Phys. Commun. 267 (2021)
Zhen Zhang, Dong-Bo Zhang, Tao Sun, Renata M. Wentzcovitch
phq: A Fortran code to compute phonon quasiparticle properties and dispersions. Comput. Phys. Commun. 243 (2019)
Tian Qin, Qi Zhang, Renata M. Wentzcovitch, Koichiro Umemoto
qha: A Python package for quasiharmonic free energy calculation for multi-configuration systems. Comput. Phys. Commun. 237 (2019)
Kanchan Sarkar, N. A. W. Holzwarth, Renata M. Wentzcovitch
EPAW-1.0 code for evolutionary optimization of PAW datasets especially for high-pressure applications. Comput. Phys. Commun. 233 (2018)
Kanchan Sarkar, Mehmet Topsakal, N. A. W. Holzwarth, Renata M. Wentzcovitch
Evolutionary optimization of PAW data-sets for accurate high pressure simulations. J. Comput. Phys. 347 (2017)
Pedro R. C. da Silveira, Lahiru Gunathilake, Alexander Holiday, Dave A. Yuen, M. Núñez Valdez, Renata M. Wentzcovitch
Ab initio elasticity workflow in the VLab science gateway. XSEDE (2013)
Pedro R. C. da Silveira, M. Núñez Valdez, Renata M. Wentzcovitch, Marlon E. Pierce, Cesar R. S. da Silva, David A. Yuen
): an updated overview of system service architecture. TG (2011)
Pedro R. C. da Silveira, Cesar R. S. da Silva, Renata M. Wentzcovitch
Metadata management for distributed first principles calculations in VLab - A collaborative cyberinfrastructure for materials computation. Comput. Phys. Commun. 178 (3) (2008)