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Working from home
interested in computational mat. sci. Understands C++, Fortran, Python. Acquainted with LAMMPS, QE, ASE, AiiDA & phonopy.Trying to learn MPI4py, pyCUDA & GPUMD.
Popular repositories Loading
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material_simulation_scripts
material_simulation_scripts PublicUseful scripts for material simulation software & pkgs
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active-learning-md
active-learning-md PublicForked from argonne-lcf/active-learning-md
Active learning workflow developed as a part of the upcoming article "Machine Learning Inter-Atomic Potentials Generation Driven by Active Learning: A Case Study for Amorphous and Liquid Hafnium di…
Python 1
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2NN_MEAMff_for_Au-Ag
2NN_MEAMff_for_Au-Ag Public2nd Nearest neighbor Parameterized MEAM potential file for Au-Ag alloy system in LAMMPS-readable format.
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twister2lammps_dat_file_generator
twister2lammps_dat_file_generator PublicA python script to convert output of twister code into a dat file in lammps format.
Python
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