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I study fundamental principles underpinning algorithms for dynamical simulation and statistical calculation. Some of my work has included: accelerated sampling of molecular dynamics; extended variable (e.g. Andersen/Nose) molecular dynamics; geometric integrators for physical and chemical applications, including Coulombic N-body dynamics with close encounters, constrained dynamics, rigid body systems; hard-sphere billiards; time/coordinate transformations for adaptive geometric integration; multiple time-scale integration methods based on averaging; applications of molecular algorithms in materials simulation and bio-molecular modelling. Most recently I have been working increasingly on sampling methods for general statistical calculation and neural network training.
Research Interests
Papers共 42 篇Author StatisticsCo-AuthorSimilar Experts
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JOURNAL OF COMPUTATIONAL DYNAMICSno. 4 (2023): 450-484
Annals of Applied Probabilityno. 3 (2023): 1904-1960
International Conference on Machine Learning (2022): 22342-22360
INTERNATIONAL CONFERENCE ON MACHINE LEARNING, VOL 139 (2021): 6200-6211
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Mathematical methods for research excellence section : Book of Abstracts (2021)
CoRR (2020)
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arxiv(2020)
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