China, Shanghai

Jianrui Geng

Advanced
@Phorbol

Open-TS-search. Some Transition State Search & Optimization implementation

10

zeomod. A professional tool for automated modeling of mesoporous zeolites, intelligent passivation, and topology-guided doping

3

MLIP-Adsorption-Workflow. Python

3

Reaction-Space-Sampling-Package. based on MLIP and single-end TS search+IRC to explore the full chemical reaction space

2

Chemical-Space-Random-Sampling. Python

1

pam-ssw. Adaptive SSW/LS-SSW-inspired PES graph exploration with curvature-controlled bias, local softening, and true-PES validation.

1
6
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