基本信息
浏览量:282
职业迁徙
个人简介
Research interests
My expertise is in atomistic simulation, particularly in multi scale modelling that couples quantum mechanics to larger length scales. I am currently engaged in applying machine learning and other data intensive techniques to materials modelling problems, such as deriving force fields (interatomic potentials) from ab initio electronic structure data. Also interested in statistical problems in molecular dynamics, e.g. in enhanced sampling algorithms that can be used explore the global configuration space of materials and molecules.
My expertise is in atomistic simulation, particularly in multi scale modelling that couples quantum mechanics to larger length scales. I am currently engaged in applying machine learning and other data intensive techniques to materials modelling problems, such as deriving force fields (interatomic potentials) from ab initio electronic structure data. Also interested in statistical problems in molecular dynamics, e.g. in enhanced sampling algorithms that can be used explore the global configuration space of materials and molecules.
研究兴趣
论文共 266 篇作者统计合作学者相似作者
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Journal of chemical physics online/The Journal of chemical physics/Journal of chemical physicsno. 12 (2024)
Faraday discussions (2024)
Rokas Elijošius,Fabian Zills,Ilyes Batatia, Sam Walton Norwood,Dávid Péter Kovács,Christian Holm,Gábor Csányi
CoRR (2024)
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arxiv(2024)
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Nima Karimitari,William J. Baldwin, Evan W. Muller, Zachary J. L. Bare, W. Joshua Kennedy,Gábor Csányi,Christopher Sutton
CoRR (2024)
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arxiv(2024)
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Philipp Pracht, Yuthika Pillai, Venkat Kapil,Gábor Csányi, Nils Gönnheimer, Martin Vondrák,Johannes T. Margraf,David J. Wales
arxiv(2024)
引用0浏览0引用
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Igor Poltavsky, Anton Charkin-Gorbulin, Mirela Puleva, Gregory Cordeiro Fonseca,Ilyes Batatia, Nicholas J. Browning,Stefan Chmiela, Mengnan Cui,J. Thorben Frank,Stefan Heinen,Bing Huang,Silvan Käser,Adil Kabylda,Danish Khan, Carolin Müller,Alastair J. A. Price,Kai Riedmiller,Kai Töpfer, Tsz Wai Ko,Markus Meuwly,Matthias Rupp,Gabor Csanyi,O. Anatole von Lilienfeld,Johannes T. Margraf,Klaus-Robert Müller,Alexandre Tkatchenko
crossref(2024)
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作者统计
#Papers: 266
#Citation: 17040
H-Index: 65
G-Index: 127
Sociability: 7
Diversity: 0
Activity: 3
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