Any chance the talk is recorded or streamed?
29.01.2026 12:25 β π 0 π 0 π¬ 0 π 0
Sounds very interesting, Rob!
17.01.2026 19:00 β π 0 π 0 π¬ 0 π 0
Congratulations!
17.01.2026 18:55 β π 1 π 0 π¬ 0 π 0
Original post on mstdn.science
Are you interested in any aspect of molecular chemistry? Come and joins us for the first Groningen Molecular Chemistry Symposium (GroMoChem): https://gromochem.web.rug.nl/ We have an excellent line-up of speakers, covering a broad range of topics. Additionally, if you are within 4 years of [β¦]
15.01.2026 10:48 β π 7 π 4 π¬ 1 π 0
We have made the code, weights, and training dataset freely available for the community.
#ComputationalChemistry #MolecularDynamics #MachineLearning #StructuralBiology #DFT #AI #NNP #MLIP
12.01.2026 06:48 β π 2 π 0 π¬ 0 π 0
We showcase its scalability and accuracy across various benchmarks (>23 ΞΌs!), modeling solvation free energies, protein structural features, and free-energy profiles of enzymatically catalyzed reactions.
12.01.2026 06:48 β π 1 π 0 π¬ 1 π 0
Trained on the new BMS25 dataset, featuring over 1.5 million DFT calculations, it can perform these simulations on a single GPU. We demonstrate efficient scaling for systems comprising tens of thousands of protein atoms and hundreds of thousands of water molecules.
12.01.2026 06:48 β π 1 π 0 π¬ 1 π 0
Ever wanted to run MD simulations of entire proteins in water with DFT accuracy?
Meet AMPv3-BMS25, the latest iteration of our AMP multiscale neural network potential by
@rinikerlab.bsky.social
Read more in the preprints:
doi.org/10.26434/che...
doi.org/10.26434/che...
12.01.2026 06:48 β π 14 π 5 π¬ 1 π 0
Team of highly motivated π young chemistsπ©βπ¬ trying to make a difference in CATALYSIS βπ± (and beyond): a green key technology of the future π based @uni-muenster.de.
Student managed account.
https://www.uni-muenster.de/Chemie.oc/glorius/
Postdoc in the Cole Group at Newcastle University interested in molecular mechanics force field development and free energy calculations.
Weekly #RobSelects
Assistant Professor for Computer-Aided Organic Synthesis at the Stratingh Institute for Chemistry, University of Groningen
(he/him/his)
[bridged from https://mstdn.science/@robpollice on the fediverse by https://fed.brid.gy/ ]
Chemist, Scientist, Husband, Dad, Runner, Teacher. I develop Avogadro + OpenBabel to find new materials for energy applications @Pitt_Chemistry he/him
Computational biochemist (he/him), PI of the http://vanderkampgroup.com. Likes #enzymes & #compchem, #diversity #inclusion
Doctoral Researcher in the Digital Chemistry Laboratory at ETH Zurich | ESOP 2021 Scholar | MSc Chemistry ETH Zurich | Accelerated catalyst discovery with AI
Associate professor in computational chemistry at the University of Amsterdam. Scientific director of the AI4Science Lab @UvA.
Connecting life sciences in Zurich: research, education, innovation, and science outreach at UZH & ETH Zurich. π±π¬β¨
https://www.lifescience-zurich.uzh.ch/en.html
Prof for chemical biology at ETH Zurich
Interested in: genetic code expansion - chembio tools - bioorthogonal chemistries - PTMs - Ub in all its shades - protein engineering
PhD researcher in Digital Chemistry at ETH @ethzurich.bsky.social
Senior Scientist and Branco Weiss Fellow at @ethzurich.bsky.social
Incoming Assistant Professor at Masaryk University, Brno, Czechia
Alumnus of @columbiauniversity.bsky.social, NY
Chemical Biology and Supramolecular Chemistry
Master student @ ETH Zurich
Visiting Student @ MIT and Broad Institute
Working on machine learning for drug discovery and bringing all of chemistry into the age of big data and AI
#compchem PhD candidate @mms-boku.bsky.social, Vienna
into science, music, handlettering, macro photography, mechanical keyboards, gaming & linux ricing
phd student @geneva, ML+physics
https://balintmate.github.io
Peptide enthusiast and Assistant Professor of Peptide-Based Drug Discovery at ETH ZΓΌrich, Switzerland
PostDoc @ AstraZeneca | Computational Chemistry and Machine Learning
Lead Computational Chemist at The Institute of Cancer Research.
π London, UK
#compchem #cheminformatics #drugdiscovery
Theoretical Chemistry Research Group @ RWTH Aachen University
https://ipc.rwth-aachen.de/Bannwarth
Student-run account of the Baudoin research group at the University of Basel
