XuhaoWan / CN-related-SACs

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• XuhaoWan / Pc_CO2RR_ML
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• joelager / Electrocatalysis-microkinetic-analysis
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  ☆11Updated 3 years ago
• spenser-lu / RASPA_tools
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• Ionizing / rsgrad
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  ☆49Updated 2 years ago
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• FourPhonon / Fourthorder
  In analogy with thirdorder.py in ShengBTE, Fourthorder.py is developed to calculate fourth-order interatomic force-constants (4th-IFCs). …
  ☆25Updated 10 months ago
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  XDATCAR_toolkit- A tool for convert XDATCAR to PDB
  ☆49Updated 5 years ago
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  ☆29Updated 2 years ago
• maituoy / BayesianOpt4dftu
  ☆36Updated 6 months ago
• QuantumLab-ZY / HamEPC
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  Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry
  ☆20Updated 2 years ago
• Code-WSY / Ueff_VASP
  Config files for my GitHub profile.
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