most citedEgret-1: Pretrained Neural Network Potentials for Efficient and Accurate Bioorganic Simulation

2 citations · 3 across the 2 of their papers we have counts for

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physics.chem-ph2025★ 2 cited

Egret-1: Pretrained Neural Network Potentials for Efficient and Accurate Bioorganic Simulation

Elias L. Mann, Corin C. Wagen, Jonathon E. Vandezande +2

Accurate simulation of atomic systems has the potential to revolutionize the design of molecules and materials. Unfortunately, exact solutions of the Schrödinger equation scale as…

physics.chem-ph2024★ 1 cited

The vDZP Basis Set Is Effective For Many Density Functionals

Corin C. Wagen, Jonathon E. Vandezande

In recent years, "composite" density-functional-theory-based methods comprising specially optimized combinations of functionals, basis sets, and empirical corrections have become w…