🎯
Focusing
Computational materials science researcher with a background in physical chemistry. Exploring how AI accelerates scientific computation
- Guiyang, Guizhou, China
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17:30
(UTC -12:00) - https://orcid.org/0000-0001-9233-876X
Popular repositories Loading
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beyondLDA2
beyondLDA2 PublicDFT+U and beyond for molecular magnetism — spin-crossover energies, gaps (KS/GLLBSC/G0W0), optical spectra (BSE/RPA), geometry optimization, and phonons with GPAW+ASE.
Python
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ruby_siesta
ruby_siesta PublicRuby toolkit + async REST API for Siesta DFT calculations, with Sidekiq/PostgreSQL backend and Docker/HPC deployment
Ruby
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device_setup
device_setup PublicThis module provides a simple and efficient way to create a molecular junction model for projects involving molecular electronics.
Python
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