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Solution in Electrochemical Science
and Engineering
Solution in Electrochemical Science
and Engineering
HPC
Tan Kah Kee Supercomputing Center
AI4EC Lab operations, providing multi-level solutions of algorithms/data/models for the field of energy materials, based on high-performance heterogeneous hardware, especially the AI-accelerated ab initio molecular dynamics toolkit (ai²-kit).
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NMRNet
A deep learning framework based on the SE(3) Transformer for atomic environment modeling, enabling fast and accurate prediction of nuclear magnetic chemical shifts.
OP-Elyte Emulator
A versatile machine learning potential specifically designed for electrolytes.
CP2K Lightning
Generate CP2K input file from given structure and run AIMD task to generate short trajectory as an initial training dataset.
DynaCat TESLA
DynaCat TESLA is a tool that automatically trains DeepMD potential for DynaCat research using predefined active learning training strategies.
