533 citations · 567 across the 11 of their papers we have counts for
3 papers · 1 filter
El Agente Quntur: A research collaborator agent for quantum chemistry
Juan B. Pérez-Sánchez, Yunheng Zou, Jorge A. Campos-Gonzalez-Angulo +12
Quantum chemistry is a foundational enabling tool for the fields of chemistry, materials science, computational biology and others. Despite of its power, the practical application…
Accurate Fourth-Generation Machine Learning Potentials by Electrostatic Embedding
Tsz Wai Ko, Jonas A. Finkler, Stefan Goedecker +1
In recent years, significant progress has been made in the development of machine learning potentials (MLPs) for atomistic simulations with applications in many fields from chemist…
Neural Network Potentials: A Concise Overview of Methods
Emir Kocer, Tsz Wai Ko, Jörg Behler
In the past two decades, machine learning potentials (MLP) have reached a level of maturity that now enables applications to large-scale atomistic simulations of a wide range of sy…