Peter Wirnsberger


Hi, I am a Staff Research Scientist at Isomorphic Labs, where I develop AI to revolutionise drug discovery. I previously worked at Google DeepMind on problems at the intersection of ML, physics and chemistry.

My research interests include generative modelling, learning simulation and enhanced sampling with large-scale applications in statistical mechanics and fluid dynamics.

Updates

[Paper] GraphCast: Learning skillful medium-range global weather forecasting

Published on the arXiv

Posted on 2 October, 2023

[Paper] Gibbs free energies via isobaric-isothermal flows

Published on the arXiv

Posted on 28 May, 2023

Lecture at the Erwin Schrödinger Institute

The material is intended for a 3hr lecture followed by a 3hr tutorial.

Posted on 2 Aug, 2022

[Paper] MultiScale MeshGraphNets

Published at IMCL 2022, AI4Science Workshop, arXiv

Posted on 26 Jun, 2022

[Paper] Normalizing flows for atomic solids

Published in Machine Learning: Science and Technology with code and trained models available on github.

Posted on 26 May, 2022

[Paper] Targeted free energy estimation via learned mappings

Selected as a featured article by JCP.

Posted on 31 October, 2020

Promotion to Senior Research Scientist

Posted on 12 October, 2020

2018 Highly Commended Thesis Prize

I received this prize from the Department of Chemistry, University of Cambridge, for my PhD Thesis.

Posted on 12 July, 2019

[Paper] Microscopic analysis of thermo-orientation in systems of off-centre Lennard-Jones particles

arXiv | JCP

Posted on 3 March, 2019

Dr Peter Wirnsberger

Here is a link to my PhD Thesis.

Posted on 20 October, 2018

New position at DeepMind in London

I am excited to share that I will be joining DeepMind as a Research Scientist.

Posted on 25 June, 2018

[Paper] Theoretical Prediction of Thermal Polarization

arXiv | PRL

Posted on 10 April, 2018

I won a Microsoft Azure Research Award

Microsoft will support my research for an entire year by providing me with access to their cloud computing service Azure.

Posted on 30 November, 2017

We won the Microsoft Hackathon

Our team is one of the global winners of this year's Microsoft Hackathon with more than 18,000 participants worldwide.

Posted on 31 August, 2017

ML internship at Microsoft

I am very excited about starting my 3-month research internship at Microsoft Research Cambridge today.

Posted on 3 July, 2017

[Paper] Numerical Evidence for Thermally Induced Monopoles

arXiv | PNAS

Posted on 3 April, 2017

[Paper] Non-equilibrium simulations of thermally induced electric fields in water

arXiv | JCP

Posted on November 17, 2016

[Paper] An enhanced version of the heat exchange algorithm with excellent energy conservation properties

Selected as a 2015 Editors' Choice article.

arXiv | JCP

Posted on July 2, 2016