The first paper I could contribute to in @rgblabmit.bsky.social! 🎉
This was possible thanks to the great work by our fantastic lead author Juno Nam!
We introduce MEPIN, an ML method to predict minimum-energy paths for chemical reactions from reactant and product structures:
arxiv.org/abs/2504.15370
24.04.2025 12:26 — 👍 3 🔁 0 💬 0 📌 0
Chemist - exploring the world, now with a team.
Habilitant in the group of Leticia González. Combining machine learning and excited state molecular dynamics simulation with stat mech.
PhD student @ MIT | Generative models and atomistic simulations for molecules | Personal website: aksub99.github.io
Scientist, #MachineLearning and #AI for Moleculear Sciences. Scuba Diver. Loves @cecclementi.bsky.social
Generative models for chemistry and materials science
Currently PhD student at ETH Zürich
Previously Dunia, MIT, EPFL, RWTH Aachen
🤖 AI for Science 🌟☧ Asst Prof. @CathInstTech |
🎓 Ph.D. @mitcheme.bsky.social ’24 (@rgblabmit.bsky.social) |
💊💻 Ex: @msftresearch.bsky.social & @elilillyandcompany.bsky.social & Chemprop maintainer |
www.kevinpgreenman.com
Postdoc at MIT. Generative models, inference, AI for science. Prev: Princeton, Meta, NUS. liusulin.github.io
Molecular simulations and AI for proteins!
PhD student @ MIT
website: http://sites.google.com/view/soojungy/
彭嘉宇 (he/him) | Assistant Professor @UBuffalo | Data-driven design of materials and interfaces for 🤖 + ⚛️ →⚡ + 🧪 | ubwp.buffalo.edu/jiayu-peng-lab/
Associate Professor at Chalmers. AI for molecular simulation and inverse design. WASP Fellow. ELLIS Member. https://userpage.fu-berlin.de/solsson/
The materials for tomorrow, today.
We are the Matter Lab at the University of Toronto, led by Professor Alán Aspuru-Guzik. Our group works at the interface of theoretical chemistry with physics, computer science, and applied mathematics.
Professor of Chemistry and Computer Science
University of Toronto
Faculty member, Vector Institute
Director, Acceleration Consortium
Senior Director of Quantum Chemistry NVIDIA
My views expressed here are personal and are not those of my employers.
Computational chemist, curious about the atomic-scale structure of materials & ML for chemistry. Professor of Materials Chemistry at the University of Oxford
FACCTs is bringing the ORCA quantum chemistry software to industry - promoting the next Quantum leaps in the Pharma, Materials and Chemical Industries.
Visit us at www.faccts.de
Computational chemist at the University of Copenhagen. Editor-in-Chief PeerJ Physical Chemistry. #compchem
1. A blog to help chemists find jobs. (chemjobber.com) 2. Towards a quantitative understanding of the quality of the chemistry job market
Cheminformatician, developer, climber, runner, hiker, cook
ORCID: 0000-0001-6279-4481
