Martínez, Todd J.

1. Fast and Scalable GPU-Accelerated Quantum Chemistry for Periodic Systems with Gaussian Orbitals: Implementation and Hybrid Density Functional Theory Calculations
   2024/10/29 by Yuanheng Wang, Diptarka Hait, Wang, Yuanheng +7 · 1 citation
   Chemistry · Chemical Engineering · Physics and Astronomy · #Zeolite Catalysis and Synthesis #Catalysis and Oxidation Reactions #Advanced Chemical Physics Studies
2. Locating Ab Initio Transition States via Approximate Geodesics on Machine Learned Potential Energy Surfaces
   2025/07/23 by Hait, Diptarka, Pabón, Jan D. Estrada, Stöhr, Martin +1 · 1 citation
   #Chemical Physics (physics.chem-ph) #FOS: Physical sciences