Peter Wirnsberger
Peter Wirnsberger
DeepMind
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An enhanced version of the heat exchange algorithm with excellent energy conservation properties.
P Wirnsberger, D Frenkel, C Dellago
Journal of Chemical Physics 143 (12), 2015
702015
Non-equilibrium simulations of thermally induced electric fields in water
P Wirnsberger, D Fijan, A Šarić, M Neumann, C Dellago, D Frenkel
Journal of Chemical Physics 144 (22), 224102, 2016
222016
Controlling cargo trafficking in multicomponent membranes
T Curk, P Wirnsberger, J Dobnikar, D Frenkel, A Šarić
Nano Letters 18 (9), 5350-5356, 2018
192018
Targeted free energy estimation via learned mappings
P Wirnsberger, AJ Ballard, G Papamakarios, S Abercrombie, S Racanière, ...
J. Chem. Phys. 153 (14), 144112, 2020
132020
Numerical Evidence for Thermally Induced Monopoles
P Wirnsberger, D Fijan, RA Lightwood, A Šarić, C Dellago, D Frenkel
Proceedings of the National Academy of Sciences, 2017
82017
Theoretical prediction of thermal polarization
P Wirnsberger, C Dellago, D Frenkel, A Reinhardt
Physical Review Letters 120 (22), 226001, 2018
62018
High-order simulation of foam enhanced oil recovery
JM Van der Meer, DEA Van Odyck, P Wirnsberger, JD Jansen
ECMOR XIV-14th European Conference on the Mathematics of Oil Recovery 2014 …, 2014
42014
The grid orientation effect in miscible displacement
P Wirnsberger
Cavendish Laboratory, University of Cambridge, 2012
22012
Microscopic analysis of thermo-orientation in systems of off-centre Lennard-Jones particles
R Jack, P Wirnsberger, A Reinhardt
Journal of Chemical Physics 150 (13), 134501, 2019
12019
Which priors matter? Benchmarking models for learning latent dynamics
A Botev, A Jaegle, P Wirnsberger, D Hennes, I Higgins
2021
Optimizing Free Energy Estimation with Machine Learning
P Wirnsberger, A Ballard, G Papamakarios, S Abercrombie, S Racanière, ...
Bulletin of the American Physical Society, 2021
2021
Improved Decision Making in Structural Causal Bandits
P Wirnsberger, J Mitrovic, C Blundell, L Buesing
NeurIPS 2019 CasualML Workshop, 2019
2019
Research data supporting'Microscopic analysis of thermo-orientation in systems of off-centre Lennard-Jones particles'
R Jack, P Wirnsberger, A Reinhardt
2019
Computer simulation and theoretical prediction of thermally induced polarisation
P Wirnsberger
Department of Chemistry, University of Cambridge, 2018
2018
Infinitely Deep Infinite-Width Networks
J Mitrovic, P Wirnsberger, C Blundell, D Sejdinovic, YW Teh
2018
Research data supporting'Theoretical prediction of thermal polarisation'
P Wirnsberger, C Dellago, D Frenkel, A Reinhardt
2018
Research data supporting" Numerical Evidence for Thermally Induced Monopoles"
P Wirnsberger, D Fijan, RA Lightwood, A Saric, C Dellago
2017
Research data and source code supporting" Non-equilibrium simulations of thermally induced electric fields in water"
P Wirnsberger, D Fijan, A Šarić, M Neumann, C Dellago, D Frenkel
University of Cambridge, 2016
2016
Research data supporting" eHEX algorithm-additional LAMMPS source files and example input scripts"
P Wirnsberger, D Frenkel, C Dellago
University of Cambridge, 2015
2015
A simulation study on the thermo-polarisation effect in water
P Wirnsberger
Faculty of Physics, University of Vienna, 2014
2014
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