(cache)Computational Chemistry Daily

Tinker-HP: Accelerating Molecular Dynamics Simulations of Large Complex Systems with Advanced Point Dipole Polarizable Force Fields Using GPUs and Mu…

RedDB, a Computational Database of Electroactive Molecules for Aqueous Redox Flow Batteries

Computational Chemistry Daily

Twitter Integration of Chemistry Software Tools

Schrödinger Teams with NVIDIA to Build All-in-One Supercomputing Solution for Drug Discovery

AI4Science Colloquium

Tinker-HP: Accelerating Molecular Dynamics Simulations of Large Complex Systems with Advanced Point Dipole Polarizable Force Fields Using GPUs and Mu…

RedDB, a Computational Database of Electroactive Molecules for Aqueous Redox Flow Batteries

Index by engine — Tutorials 2020 documentation

Investigating 3,4-Bis(3-Nitrofurazan-4-Yl)furoxan Detonation with a Rapidly Tuned Density Functional Tight Binding Model

Ligands Enhanced Ac≡Ac Triple Bond

alvaBuilder

1st FRASCAL Virtual Colloquium › FRASCAL

Noncovalent interactions from models for the Møller-Plesset adiabatic connection

Computational Chemistry Daily