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Indo Korea Science and Technology Center.
- Bangalore, India
Popular repositories Loading
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d-band-center
d-band-center PublicThis code calculates the d-band centers (spin up and spin down) from a VASP calculation with LORBIT=11 and prints the effective d-band center
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Interstitial-Finder
Interstitial-Finder PublicFinds the interstitial sites in a material using Voronoi. The input file should be in VASP poscar format
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TPD-Satadeep
TPD-Satadeep PublicThis program calculates the temperature programmed desorption rate. Once initial coverage, heating rate, desorption energy are provided the program solves Polyani-Wigner equation differential equat…
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AMMCR
AMMCR PublicForked from anup12352/AMMCR
Ab initio model for mobility and conductivity calculation by using Rode Algorithm
C++ 1
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Magnetic-moment-of-Co2YZ-Heusler-alloys
Magnetic-moment-of-Co2YZ-Heusler-alloys PublicA general rule for predicting the magnetic moment of Cobalt-based Heusler compounds using compressed sensing and density functional theory.
Python 1
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crysxpp
crysxpp PublicForked from kdmsit/crysxpp
Deep learning framework for materials property prediction powered by pre-training
Python
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