Popular repositories Loading

1. catalyticLAM catalyticLAM Public

   Machine-Learning-Based Interatomic Potentials for Catalysis: an Universal Catalytic Large Atomic Model

   Python 56 12

2. Microkinetics Microkinetics Public

   A script to solve surface catalytic microkinetics equation

   Python 8 2

3. TCCL-Code TCCL-Code Public

   Forked from zevanzhao/TCCL-Code

   Code and scripts for theoretical and computational chemistry, developed in TCCL, Department of Chemistry, Tsinghua University. These scripts read the out put of ADF, CP2K, Dmol3, Gaussian, NWChem, …

   Perl 1 1

4. catmap catmap Public

   Forked from ajmedford/catmap

   Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening

   Python 1

5. THCat_kMC THCat_kMC Public

   Python 1

6. zmatrix zmatrix Public

   Python