Posts by Erica Tsai
Simulation / Modeling / Design
Oct 29, 2026
Unlocking Tensor Core Performance for Machine Learning Interatomic Potentials
Atomistic simulations help researchers understand how molecules and materials behave, from chemical reactions and phase transitions to mechanical failure. These...
13 MIN READ
Simulation / Modeling / Design
Aug 18, 2026
How AI Coding Agents Can Unlock Materials Simulation with NVIDIA ALCHEMI Toolkit
Atomistic simulation requires three things: knowledge of the science, compute-efficient implementation of simulations, and accessible interfaces to the...
13 MIN READ
Simulation / Modeling / Design
Apr 14, 2026
Building Custom Atomistic Simulation Workflows for Chemistry and Materials Science with NVIDIA ALCHEMI Toolkit
For decades, computational chemistry has faced a tug-of-war between accuracy and speed. Ab initio methods like density functional theory (DFT) provide high...
14 MIN READ