Shiv Upadhyay
Current: Post-Doc | Xiaosong Li Lab | University of Washington
Prev: Graduate Student | Kenneth D. Jordan Lab | University of Pittsburgh
@mandalgroup.bsky.social
Studying Light-Matter Interactions at Texas A&M Theoretical Chemistry, Light-Matter Interactions, Quantum Dynamics https://mandalgrouptamu.com #compchem #chemsky #theochem
@geoffhutchison.net
Chemist, Scientist, Husband, Dad, Runner, Teacher. I develop Avogadro + OpenBabel to find new materials for energy applications @Pitt_Chemistry he/him
@n8trium.bsky.social
Bird Enthusiast. Runner. Gamer. PhD candidate in #compchem at UIOWA.
@vlderinger.bsky.social
Computational chemist, curious about the atomic-scale structure of materials & ML for chemistry. Associate Professor at the University of Oxford
@dbwy-science.bsky.social
#HPC | #CompChem | Applied Math Principal SWE @ Microsoft Quantum ex-LBNL, PhD @ UW Thoughts are my own.
@anouarb.bsky.social
Computational Scientist focused on high accuracy electronic structure methods on HPC (QMC and sCI). After more than a decade as a Science Lead at Argonne National Laboratory, I now Lead a Research Team at Qubit Pharmaceuticals.
@jppiquem.bsky.social
Professor of Theoretical Chemistry @sorbonne-universite.fr & Head @lct-umr7616.bsky.social| Co-Founder & CSO @qubit-pharma.bsky.social| FRSC (My Views) #compchem #HPC #quantumcomputing #machinelearning | https://piquemalresearch.com | https://tinker-hp.org
@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
@apsphysics.bsky.social
Fostering a vibrant, inclusive, and global community dedicated to science and society. Join us: http://go.aps.org/2NWWEeY
@aip.bsky.social
Advancing the physical sciences with a unifying voice of strength from diversity. https://aip.org
@sarahjeanbean.bsky.social
Here for: Cozy games 🎮 Fantasy books 📚 Arts and crafts 🖼 Cute pictures of your Guinea pigs 🐹
@srijitseal.com
Senior Chemøinformatician at Merck | Postdoc@Broad Institute of MIT and Harvard, Cambridge(MA) | PhD@University of Cambridge(UK) | AI, Image Analysis, bioML, -omics data, and Cell Painting for drug discovery. srijitseal.com/tools
@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
@gagliardilaura.bsky.social
Professor at the University of Chicago. Previously at U Minnesota and U Geneva. From Italy. I value a culture of diversity and solidarity. https://gagliardigroup.uchicago.edu/
@physicsteo.bsky.social
The twitter-er formerly known as @physicsteo. Recovered #CompChem-ist. Doing publishing stuffs @ AIPP. Brooklynite from 🇮🇹 via 🇪🇸, 🇸🇪 & 🇩🇪. http://matteo.cavalleri.eu
@choldgraf.com
Executive Director of @2i2c.org 🪐 Jupyter Project distinguished contributor 👬 mybinder.org and hub.jupyter.org team 📚 jupyterbook.org mystmd.org and executablebooks.org open communities 🙌 open infrastructure 💻 open science 🧪
@danielskatz.org
Chief Scientist @ NCSA, Res. Prof. @ CS & iSchool, @ U Illinois Urbana-Champaign He/him Works on: computational & data science: software opensource systems tools policy practices scholcomm FAIR RSE more active on: @[email protected]
@alexmackerell.bsky.social
Computational chemistry and biophysics. Empirical force fields, CADD, RNA, carbohydrates, and methods developments including SILCS (site identification by ligand competitive saturation, See SilcsBio LLC) and enhanced-sampling GCMC. And I surf....
@fullcialchemist.bsky.social
Theoretically, chemist. Stanford Science Fellow working on quantum chemistry and computational photocatalysis. UC Berkeley PhD 2022, MIT SB 2016. he/him #CompChemSky https://diptarkahait.com/ https://scholar.google.com/citations?hl=en&user=R2WrGKMAAAAJ
@matplotlib.org
Python library for creating static, animated, & interactive visualizations. Chat w/ us @ https://discourse.matplotlib.org/ Sponsored by NumFocus
@olexandr.bsky.social
Chemistry professor at CMU. Connecting chemical sciences with AI #MachineLearning and automated experimentation. #tarheels fan. Care: #design, #photography #Ukraine #cats🐈 Rants are mine
@flatironinstitute.org
Advancing scientific research through computational methods and software tools. Centers: #FlatironCCA, #FlatironCCB, #FlatironCCM, #FlatironCCN and #FlatironCCQ
@andrewrosen.bsky.social
Assistant Professor at Princeton. Quantum-chemical engineer and materials designer. https://rosen.cbe.princeton.edu
@ltchong.bsky.social
Professor @pittchem.bsky.social. Computational biophysicist, leading @westpasoftware.bsky.social development for weighted ensemble rare-event sampling, Amber force field developer.
@mbarbatti.bsky.social
Professor of theoretical chemistry / molecular physics at Aix Marseille University. Member of Institut Universitaire de France. Newton-X designer.🧪
@anandtech.com.web.brid.gy
News and reviews of PC components, smartphones, tablets, pre-built desktops, notebooks, Macs and enterprise/cloud computing technologies. [bridged from https://anandtech.com/ on the web by https://fed.brid.gy/ ]
@numpy.bsky.social
@jan.hermann.name
Computational chemistry & physics, electrons, deep learning 🚲☕️♟️ Microsoft Research AI for Science · https://jan.hermann.name
@mdanalysis.bsky.social
Working with data in the molecular sciences. https://www.mdanalysis.org
@januseriksen.bsky.social
Assoc. prof. in #compchem at DTU (🇩🇰) -- Previously: Bristol Uni (🇬🇧) & Uni Mainz (🇩🇪). Member of @theyoungacademydk.bsky.social (🇩🇰, 2022-27).
@molecularxtal.bsky.social
Computational Chemist. 🦀🐍 Scientist at BAM + Professor FSU Jena. Only private opinions here. Last name: German pronunciation. 🏳️🌈 she/they (sie). @JaGeo on github
@story645.bsky.social
graduate student studying visualization (CS) @thegraduatecenter.bsky.social & @matplotlib.org community manager
@ositanwanevu.com
Contributing Editor | The New Republic Columnist | The Guardian Author | The Right of the People (2025) Newsletter | ositanwanevu.com
@davidpfau.com
So far I have not found the science, but the numbers keep on circling me. Views my own, unfortunately.
@pghdsa.org
Yinz like socialism? 🌹 Pittsburgh chapter of the Democratic Socialists of America pghdsa.org/join-us
@emilymbender.bsky.social
Book: https://thecon.ai Web: https://faculty.washington.edu/ebender
@lauramccaslin.bsky.social
New PI in theoretical chemical physics at Sandia Natl. Labs. Studying photodynamics in molecules & materials. All views mine.
@gabegomes.bsky.social
autonomous science & digital molecular designer | assistant professor @cmu with @gpggrp.bsky.social | https://gpggrp.com | https://aithera.ai | h(e/im), views my own
@bigjoel.bsky.social