ChemShell
ChemShell is a computational chemistry environment for multiscale QM/MM modelling developed at STFC Daresbury Laboratory and collaborating groups around the world.
@tomsilico.bsky.social
Computational chemistry and AI for drug design in biotech #compchem | CSIRO, Melbourne AU
@shozebhaider.bsky.social
Professor of Biophysics, Drug Discovery, Photographer, Traveller and a Cultural succupus.
@jrkermode.co.uk
Professor of Materials Modelling in School of Engineering at University of Warwick, Director of Warwick Centre for Predictive Modelling and EPSRC HetSys CDT. Develop multiscale materials modelling methods and software. warwick.ac.uk/jrkermode
@graeme-w-watson.bsky.social
Chair of Theoretical Chemistry and Head of the School of Chemistry at Trinity College Dublin
@nataliefeynls.bsky.social
Associate Professor @BristolChem, gardener, drinker of tea, Labrador executive assistant. Counts in German & swears in English. She/Her. All views my own. ORCID: 0000-0003-0609-475X
@philbiggin.bsky.social
Computational biochemist, interested in neuronal signalling at the atomic level and computer-aided drug design. All views my own. @bigginlab@fediscience.org @philbiggin@X bigginlab.web.ox.ac.uk
@scihans.bsky.social
Postdoc at Diamond Light Source. Protein crystallography (Fragment-based Drug Discovery) for antivirals. I love #SciComm, #Sustainability, #Climbing and #EDM. Views are my own. He/Him.
@colegroupncl.bsky.social
We are a computational research group at Newcastle University led by #UKRIFLF Dr Danny Cole specialising in atomistic simulations in medicinal chemistry and biology https://blogs.ncl.ac.uk/danielcole/
@nickhine.bsky.social
Professor of Physics, University of Warwick. Large-scale electronic structure (LS-DFT), 2D materials, theoretical spectroscopy, developer of ONETEP and ESTEEM.
@marcelswart.bsky.social
ICREA & UdG Prof TheoChem āŖļøF @rsc.org āŖļøM @acad-euro.bsky.socialāŖļøE @ica-papers.bsky.social āŖļøORCID: https://orcid.org/0000-0002-8174-8488 āŖļøš³š± Views my own āŖļøPronouns: he/him/his @marcelswart.eu See @spinstatepapers.bsky.social
@jrebolledoo.bsky.social
PhD Student at University of Notre Dame | Computational Chemistry | Heterogeneous Catalysis
@fhi-aims.bsky.social
This is the BlueSky presence of the FHI-aims electronic structure code - https://fhi-aims.org/ . FHI-aims is a community-based electronic structure code for materials and molecules, efficient, all-electron, up to very large systems.
@aimsduke.bsky.social
Ab initio materials simulations at Duke University. Associate professor, Duke MEMS & Chemistry. https://aims.pratt.duke.edu/ . Opinions my own. Unlike the shirt on the right side of the profile image, which is not my own. The number on the shirt is 10.
@mhanwell.bsky.social
Scientist, open sourcerer, love the beach. Work at NVIDIA. Opinions are my very own and not necessarily reflecting anyone else's! Be well
@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? š Website: www.rsc.org
@marcvanderkamp.bsky.social
Computational biochemist (he/him), PI of the http://vanderkampgroup.com. Likes #enzymes & #compchem, #diversity #inclusion
@janhjensen.bsky.social
Computational chemist at the University of Copenhagen. Editor-in-Chief PeerJ Physical Chemistry. #compchem
@alexsimperler.bsky.social
Independent consultant. #Educator #Facilitator #Training #MaterialsModelling #BusinessBenefits #Ontologies #Dissemination
@lynnkamerlin.bsky.social
Professor, Georgia Tech Chemistry and Biochemistry. Georgia Research Alliance Eminent Scholar. Senior Editor, Protein Science. American, British, Swedish, Kurdish. Pianist, photographer, foodie, dreamer, mom. She/they. #FirstGen #MENA All views my own
@johnbuckeridge.bsky.social
I'm a materials physicist pretending to be a chemist and an engineer. I don't think anyone is convinced. Opinions mine. (He/him)
@sykhalid.bsky.social
Prof of Computational Microbiology. Oxford Biochemistry & St Anneās College. Bacterial Cell Envelopes. LFC fan š
@jarvist.bsky.social
To physicists: a chemist. To chemists: a physicist. To mathematicians: an empty set. RSURF & Lecturer, Imperial College London. Computational chemist / physicist. Photovoltaics, batteries, antibacterial peptides; lasers, cryostats, (ML)(Q)MC/MD/TB/DFT.
@jchodera.bsky.social
Achira | http://achira.ai Research laboratory | http://choderalab.org Antiviral drug discovery for pandemics | http://asapdiscovery.org OpenADMET | http://openadmet.org Employer-mandated disclaimer: http://choderalab.org/disclaimer Pronouns: he/him
@johanneskaestner.bsky.social
Computational chemistry professor at @unistuttgart.bsky.social simulating reaction mechanisms, atom tunneling, astrochemistry, MachineLearning. https://www.uni-stuttgart.de/theochem/kaestner
@andrewrosen.bsky.social
Assistant Professor at Princeton. Quantum-chemical engineer and materials designer. https://rosen.cbe.princeton.edu
@bsky.app
official Bluesky account (check usernameš) Bugs, feature requests, feedback: support@bsky.app