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个人简介
I am interested in the statistical mechanics of classical and quantum systems, and also in inverse statistical mechanics. My Ph.D. at Cambridge was supervised by Dr. Gábor Csányi and Prof. Mike Payne in the enginnering and physics departments respectively.
In my PhD I adapted an algorithm called nested sampling, originally developed by the astrophysicist Dr. John Skilling for Bayesian data analysis. My adaptation allows one to calculate the partition function of a material as an explicit function of temperature, and therefore to do statistical mechanics from first principles. The nested sampling algorithm unbiasedly explores the entirity of configuration space, and therefore discovers expected and unexpected phases, together with their phase transitions and structures. In this way, my implementation of nested sampling automatically uncovers phase diagrams, equations of state, and all other quantities that characterise the equilibrium statistical mechanics of a material.
In my PhD I adapted an algorithm called nested sampling, originally developed by the astrophysicist Dr. John Skilling for Bayesian data analysis. My adaptation allows one to calculate the partition function of a material as an explicit function of temperature, and therefore to do statistical mechanics from first principles. The nested sampling algorithm unbiasedly explores the entirity of configuration space, and therefore discovers expected and unexpected phases, together with their phase transitions and structures. In this way, my implementation of nested sampling automatically uncovers phase diagrams, equations of state, and all other quantities that characterise the equilibrium statistical mechanics of a material.
研究兴趣
论文共 11 篇作者统计合作学者相似作者
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Marco Bellagente,Manuel Brack,Hannah Teufel,Felix Friedrich,Björn Deiseroth,Constantin Eichenberg,Andrew Dai,Robert Baldock, Souradeep Nanda,Koen Oostermeijer, Andres Felipe Cruz-Salinas,Patrick Schramowski,
NeurIPS 2023 (2023)
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Samuel Weinbach,Marco Bellagente,Constantin Eichenberg, Andrew Dai,Robert Baldock, Souradeep Nanda,Björn Deiseroth,Koen Oostermeijer,Hannah Teufel, Andres Felipe Cruz-Salinas
arxiv(2022)
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arXiv: Machine Learning (2019)
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