研究领域

查看导师新发文章 （温馨提示：请注意重名现象，建议点开原文通过作者单位确认）

Gábor Csányi is an expert in atomistic simulation, particularly in multi scale modelling that couples quantum mechanics to larger length scales. He is currently engaged in applying machine learning techniques to materials modelling problems e.g. deriving force fields (interatomic potentials) from ab initio data. He is also interested in statistical problems in molecular dynamics, e.g. in enhanced sampling algorithms that can be used to automate the calculation of phase diagrams from atomistic models.