1 citations · 1 across the 1 of their papers we have counts for
3 papers
Exploring DFT parameter space with a Bayesian calibration assisted by Markov chain Monte Carlo sampling
Pedram Tavadze, Reese Boucher, Guillermo Avendaño-Franco +7
Density-functional theory is widely used to predict the physical properties of materials. However, it usually fails for strongly correlated materials. A popular solution is to use…
MechElastic: A Python Library for Analysis of Mechanical and Elastic Properties of Bulk and 2D Materials
Sobhit Singh, Logan Lang, Viviana Dovale-Farelo +4
The MechElastic Python package evaluates the mechanical and elastic properties of bulk and 2D materials using the elastic coefficient matrix () obtained from any ab-initio…
PyProcar: A Python library for electronic structure pre/post-processing
Uthpala Herath, Pedram Tavadze, Xu He +4
The PyProcar Python package plots the band structure and the Fermi surface as a function of site and/or s,p,d,f - projected wavefunctions obtained for each -point in the Brillou…