Crystal Structure Prediction
Useful people/orgs to follow for people interested in crystal structure prediction.
Created by
@stochasticchemist.bsky.social
@aichemyhub.bsky.social
Alchemy is a UK hub with a mission to transform the Chemistry – AI interface through world-leading research and catalyse the adoption of AI in experimental and computational chemistry.
@yixhuang.bsky.social
@zuccotto.bsky.social
Dad, Drug Developer, Computational Chemist at Vertex Pharmaceuticals, Drug Discovery. Views my own.
@eleanormsoper.bsky.social
Computational Materials Chemistry PhD student in the Day and Coles groups #MOFs Host-Guest Chemistry | University of Southampton | 🎶🩰
@mpici.bsky.social
Exploring the world of 'hidden dimensions' ( #colloids & #interfaces ) and bridging the gap between #molecules, #MultiScaleMaterials, and #BioSystems. In Potsdam, #Germany. https://www.mpikg.mpg.de/departments #chemsky #Forschung #Research
@jayjohal.bsky.social
PhD Student in the Day Group at the University of Southampton. Working on using Crystal Structure Prediction for Materials Discovery. He/Him.
@robertpalgrave.bsky.social
Professor of Inorganic and Materials Chemistry at UCL. Director of UK National XPS Service.
@marhangelskis.bsky.social
Associate professor at the Faculty of Chemistry, University of Warsaw. Computational materials chemistry, crystal structure prediction, periodic DFT. www.arhangelskis.org
@theduckmachine.bsky.social
Crystallographer, Software hacker and cricket lover. As is probably evident from my handle, I enjoy batting but I'm not very good at it. Views are my own.
@crystalexplorer.net
Computers, crystals and chemistry. Research Fellow in the Computational Materials and Minerals Group at Curtin University. @peterspackman@mastodon.social
@sophiebennett.bsky.social
Computational chemistry PhD student at the University of Southampton, working on using crystal structure prediction for discovery of new functional materials. She/her
@aronwalsh.github.io
Virtual Chemist; Professor #ImperialCollege; Editor #JACS; Liúdramán; Personal Opinions; He/Him
@rsc.org
With the future of the world in the balance, everyone has a role to play in making it better. How will you join in? 🌐 Website: www.rsc.org
@ccdc.cam.ac.uk
The CCDC is a non-profit, charitable institution focused on the advancement & promotion of chemistry & crystallography. Website: https://www.ccdc.cam.ac.uk/
@jennieemartin.bsky.social
Senior research assistant investigating crystal structure prediction at University of Southampton | Ice hockey and model scenery fan 🧑🔬 💻 🏒
@graemeday.bsky.social
Professor, Head of Digital and Data-Driven Chemistry, School of Chemistry and Chemical Engineering at @unisouthampton.bsky.social Associate Editor at Chemical Science (@roysocchem.bsky.social) structure prediction, materials discovery
@stochasticchemist.bsky.social
Postdoc in the Day Group at the University of Southampton. Interested in methods for crystal structure prediction!