Renata M. Wentzcovitch

According to our database, Renata M. Wentzcovitch authored at least 10 papers between 2008 and 2023.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2023

pgm: A Python package for free energy calculations within the phonon gas model.

Hongjin Wang, Jingyi Zhuang, Zhen Zhang, Qi Zhang, Renata M. Wentzcovitch

Comput. Phys. Commun., October, 2023

express: Extensible, high-level workflows for swifter <i>ab initio</i> materials modeling.

Qi Zhang, Chaoxuan Gu, Jingyi Zhuang, Renata M. Wentzcovitch

Comput. Phys. Commun., 2023

2021

cij: A Python code for quasiharmonic thermoelasticity.

Chenxing Luo, Xin Deng, Wenzhong Wang, Gaurav Shukla, Zhongqing Wu, Renata M. Wentzcovitch

Comput. Phys. Commun., 2021

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

qha: A Python package for quasiharmonic free energy calculation for multi-configuration systems.

Tian Qin, Qi Zhang, Renata M. Wentzcovitch, Koichiro Umemoto

Comput. Phys. Commun., 2019

2018

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

2017

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

2013

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

Proceedings of the Extreme Science and Engineering Discovery Environment: Gateway to Discovery, 2013

2011

Virtual laboratory for planetary materials (<i>VLab</i>): 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

Proceedings of the 2011 TeraGrid Conference - Extreme Digital Discovery, 2011

2008

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