sobhitsinghphy
Assistant Professor, Department of Mechanical Engineering University of Rochester, New York
Department of Mechanical Engineering, University of RochesterNew York, USA
Pinned Repositories
ComputationalPhysics300
computational physics class taught at UNLV (Phys300)
elastemp
Elastemp
Fermi-Surface
VASP subtool to draw Fermi-Surface; creates input file for Xcrysden
irrep
irvsp
to compute Irreducible Representations of electronic states in Vienna ab-initio Simulation Package (irvsp) -------------------- Please cite arXiv:2002.04032 when you use any code in this repository.
Julia-Phonons
Julia codes to play with Phonons
MechElastic
This python scripts can be used to calculate some important physical properties such as elastic moduli, melting temperature, Debye temperature, elastic wave velocities, and elastic anisotropy for all crystalline systems using the VASP output data for elastic tensor calculation. It can also be used to test the mechanical stability of any bulk system. It reads the elastic matrix written in the OUTCAR file. If not provided by user, this script will read the crystal type from the OUTCAR file.
ML-Schrodinger
Machine learning of Schrodinger equation
Sym-Modes
Python scripts created by the Materials Theory and Design Group to help with symmetry mode analysis
VASP-plot-modes
Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP
sobhitsinghphy's Repositories
sobhitsinghphy/VASP-plot-modes
Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP
sobhitsinghphy/MechElastic
This python scripts can be used to calculate some important physical properties such as elastic moduli, melting temperature, Debye temperature, elastic wave velocities, and elastic anisotropy for all crystalline systems using the VASP output data for elastic tensor calculation. It can also be used to test the mechanical stability of any bulk system. It reads the elastic matrix written in the OUTCAR file. If not provided by user, this script will read the crystal type from the OUTCAR file.
sobhitsinghphy/Sym-Modes
Python scripts created by the Materials Theory and Design Group to help with symmetry mode analysis
sobhitsinghphy/ComputationalPhysics300
computational physics class taught at UNLV (Phys300)
sobhitsinghphy/elastemp
Elastemp
sobhitsinghphy/Fermi-Surface
VASP subtool to draw Fermi-Surface; creates input file for Xcrysden
sobhitsinghphy/irrep
sobhitsinghphy/irvsp
to compute Irreducible Representations of electronic states in Vienna ab-initio Simulation Package (irvsp) -------------------- Please cite arXiv:2002.04032 when you use any code in this repository.
sobhitsinghphy/Julia-Phonons
Julia codes to play with Phonons
sobhitsinghphy/ML-Schrodinger
Machine learning of Schrodinger equation
sobhitsinghphy/mlreview_notebooks
Jupyter notebooks for "A high-bias, low-variance introduction to Machine Learning for physicists"
sobhitsinghphy/Phonopy_VESTA
Export Eigenvectors from Phonopy format to VESTA
sobhitsinghphy/PyProcar
A python package for analyzing PROCAR files obtained from VASP and Abinit
sobhitsinghphy/pysotropy
python interface to isotropy
sobhitsinghphy/qmsolve
⚛️ A module for solving and visualizing the Schrödinger equation.
sobhitsinghphy/ramanpy
Raman tensor calculation using finite displacement method
sobhitsinghphy/Self-Consistent-Quasiharmonic-Approximation-Method
An efficient ab-initio quasiharmonic method for thermodynamic properties of solids
sobhitsinghphy/sod
Site-Occupation Disorder
sobhitsinghphy/symmetrize_wann_file
Symmetrize Wannier90 files into symmetric matrix
sobhitsinghphy/TB2J_examples
Examples for the TB2J code
sobhitsinghphy/vasprun
quick analysis of vasp calculation
sobhitsinghphy/wannier-berri
python realization of some of postw90 functional.