Pinned
New pre-print from the lab on scaling transferable implicit transfer operators to protein dynamics. Collaboration with @OleWinther1
Simon Olsson
1,427 posts
Simon Olsson
@smnlssn
Joined September 2016
- I have 3 open postdoc positions in my group. Machine learning and AI to topics varying from inverse molecular design, optimization of near-term quantum computer algorithms to multi-scale simulations of electron transport. All project are exciting collabs. see thread for links:
- I will be opening two fully funded PhD positions (5 year) in my group in the near future. If you are interested in working with generative models in molecular applications (design and simulation) please feel free to reach out.
- Tiny step sizes limit molecular dynamics simulations' application scope. We present `implicit transfer operators,' an approach to learning multiple time-resolution surrogates of the generating distribution of MD, to simulate with much larger steps arxiv.org/abs/2305.18046
GIF - 1/I am excited to announce that I'm joining the Data Science and AI division at @chalmersuniv (oct 1.) as a @WASP_Research AI/MLX Assistant Professor.
- I have two open PhD positions in my newly established lab at @chalmersuniv on the use of generative models for protein structure and protein sequences, chalmers.se/en/about-chalm… and chalmers.se/en/about-chalm… Deadline: 31st December. Please retweet! #chemjobs #mljobs #proteins
- Our new paper on building coarse-grained force-fields using neural networks trained using a force matching principle and physically motivated priors is online now: pubs.acs.org/doi/abs/10.102… #compchem
- [re-opening] Fully funded PhD position in Inverse Molecular Design with Generative Models -- be part of a largescale collaboration between experimental and computational groups across Sweden
- Interested in doing a PhD on using Generative AI for inverse molecular design? We have an opening in my group for a fully funded position (5yrs) to be part of a large national collaboration to modulate ion-channel function using bespoke small molecules. 1/n
- Excited to share that Implicit Transfer Operator learning has been accepted for #NeurIPS2023Tiny step sizes limit molecular dynamics simulations' application scope. We present `implicit transfer operators,' an approach to learning multiple time-resolution surrogates of the generating distribution of MD, to simulate with much larger steps arxiv.org/abs/2305.18046GIF
- Had a great time talking about our recent work on using machine learning in molecular dynamics at the virtual workshop hosted by @IQTCUB this afternoon. Thanks for the stimulating questions and discussion.
- I have an open position in my lab at @chalmersuniv (@cse_gbg) for a postdoc. If you are excited about applying and developing ML for science, then please apply by May 31st. #mljobs #postdoc chalmers.se/en/about-chalm…
- I'm happy to share our new pre-print. We describe the discovery of a hidden cryptic state in all bromodomain families. This work was lead by the excellent postdoc #LluisRaich with contributions from others incl. @ClaraDChrist and @FrankNoeBerlin #compchem biorxiv.org/cgi/content/sh…
