Eric Jankowski

@oldmanjank

bikes, go, science

+ Follow

Daily Camera

@dailycamera

The Daily Camera newspaper in Boulder, Colo., covers local news, sports, lifestyles, entertainment, business, opinion and more throughout Boulder County.

+ Follow

John Chodera (he/him)

@jchodera

Changing drug discovery one ratio of partition functions at a time. Heading up antiviral discovery for pandemics: asapdiscovery.org choderalab.org/disclaimer

+ Follow

Olexandr Isayev 🇺🇦🇺🇸

@olexandr

#CompChem Prof @CMU_Chem. Connecting chemical sciences with AI & #MachineLearning. #tarheels fan. Care:#design, #photography #Ukraine #cats🐈 Rants are mine

+ Follow

Josh Marshall

@joshtpm

Founder & reigning monarch at TPM. Lapsed historian. Hand tool woodworker. ✡️ (Sign up for The Backchannel bit.ly/3LXafUs)

+ Follow

Andrew White 🐦‍⬛

@andrewwhite01

Head of Sci/cofounder @FutureHouseSF. Prof of chem eng @UofR (on sabbatical). Automating science with AI and robots in biology. Corvid enthusiast

+ Follow

Adrian Roitberg 🏳️‍⚧️

@adrian_roitberg

Tries to pass as a computational chemist. Bostero fanatic. He/Him. Comments are my own and do not reflect my institution.

+ Follow

Pascal Merz

@pascalmerz

Postdoctoral researcher in the @Michael_Shirts lab at @CUBoulder (@shirtsgroupCU) President of @PACBoulder

+ Follow

Patrick Walters

@wpwalters

cheminformatics, machine learning, drug discovery, opinions

+ Follow

Mike Henry 🌈🏳️‍⚧️

@mikehenry42

FOSS fanatic. PhD. Advancing social justice through open science and inclusive training. He/Him/His @choderalab & @openfreeenergy @BoiseStateCOEN alumnus

+ Follow

Tony Jones

@tjonesonthenba

Covering the Jazz, Nuggets and the NBA for The Athletic, hoops addict, doting father...Akron born, Brooklyn/Philly raised...NABJ sports..#RIP to my bro Brad

+ Follow

David Mobley

@davidlmobley

Professor, PharmSci & Chem @UCIrvine. Grad program director. Editor @LiveCoMS. Christian, dad of 6. @[email protected]

+ Follow

Frances Arnold

@francesarnold

Innovation by evolution, Linus Pauling Professor at Caltech, Nobel Prize in Chemistry (I am an engineer of the biological world)

+ Follow

Chemjobber

@chemjobber

1. A blog 2. Towards a quantitative understanding of the quality of the chemistry job market | #chemjobs: permanent industry/academia, #chempostdoc: postdocs

+ Follow

Christopher E. Wilmer

@drchriswilmer

Associate Professor at the University of Pittsburgh. Co-founder of numat-tech.com, aeronicsinc.com, and the journal Ledger (ledgerjournal.org).

+ Follow

Caroline Lynn Kamerlin 🇺🇸🇬🇧🇸🇪🇮🇷 ☀️ 🇪🇺🦓

@kamerlinlab

Prof @GT_Chem @ga_res_alliance Eminent Scholar. Pianist, photographer, foodie, dreamer, mom. She/they. #FirstGen #MENA ❤️☀️💚 All views my own.

+ Follow

Jim Pfaendtner

@jimpfaendtner

Dean of Engineering, Faculty, Mental health advocate, @JPhysChem senior editor, PS5 enthusiast, fantasy/sci-fi.

+ Follow

Dr. Rose Cersonsky (she/her/hers)

@rosycers

Asst. Prof. @UWMadCBE, PI for @LabOfScience. Advocate for mental health / open access / teachers. Spare time runner / climber / cat wrangler. 🏳️‍🌈

+ Follow

Omar Valsson

@omarvalsson

Assistant Professor in Theoretical/Computational Chemistry at University of North Texas - @UNTChemistry - Developer of atomistic simulations methods

+ Follow

CU Boulder Engineering 🦬

@cuengineering

The Twitter account for news and updates from @CUBoulder’s College of Engineering and Applied Science | one of the top-ranked programs in the nation. #BeBoulder

+ Follow

William L. Jorgensen

@jorgensenwl

Chemistry Prof @ Yale; founding Editor JCTC; OPLS, TIPnP, FEP, Drug Design

+ Follow

Jean-Philip Piquemal

@jppiquem

Professor of Theoretical Chemistry @ Sorbonne Université & Director @ LCT (UMR 7616 CNRS)| CSO & co-founder @qubit_pharma| FRSC (Views are mine) #compchem

+ Follow

Ross Douthat

@douthatnyt

NYT columnist, author of Believe, zondervan.com/p/believe, and The Falcon's Children, falconschildren.com

+ Follow

Stat.ML Papers

@statmlpapers

Unofficial updates of statistical machine learning papers on arXiv

+ Follow

Michele Invernizzi

@inve_michele

Computational physicist @PeptoneLtd. (PhD @GroupParrinello, PostDoc @FrankNoeBerlin). AI for Science, Molecular Dynamics, Enhanced Sampling

+ Follow

Cory Simon

@corymsimon

ChemE prof @ Oregon State University | Bayesian optimization, inverse problems, algos for mobile robots | dog-walking, bike-riding, Starcraft, wine | views mine

+ Follow

Tony Straub

@straub_tony

Assistant Professor of Environmental Engineering @CUBoulder interested in water, energy, and the environment

+ Follow

Greg Bowman

@drgregbowman

Imperfect Christ-follower desperately searching for truth, especially through science. Prof @Penn. Director @foldingathome. Legally blind. Father

+ Follow

AMBER md

@ambermdprog

Amber is a suite of biomolecular simulation programs.

+ Follow

Justin Lemkul

@justinlemkulvt

Associate Professor of Biochemistry at Virginia Tech. Drude FF contributor, #compchem, simulations, and CADD. Tweets are my own. RT != endorsements. Go #Hokies!

+ Follow

Jeffrey Potoff

@jpotoff

Prof. of Chemical Engineering; Department Chair. Monte Carlo simulation/algorithms/software, GPU, HPC, PFAS, rare earth elements

+ Follow

Cathrine Bergh

@cathrinebergh

PhD in theoretical biophysics, KTH Royal Institute of Technology

+ Follow

Mehtap Işık Bennett

@_mehtap_isik_

Scientist at Moderna | computational chemistry and cheminformatics | former member of @choderalab

+ Follow

Ashlee N. Ford Versypt

@fordversyptlab

Associate Professor of Chemical Engineering | PI of Systems Biomedicine & Pharmaceutics Lab | Computational Scientist | Teacher-Scholar | she/her/hers

+ Follow

JCIM & JCTC Journals

@jcim_jctc

Tweets from Journal of Chemical Information and Modeling (JCIM) and Journal of Chemical Theory and Computation (JCTC) from @ACSPublications

+ Follow

Marwin Segler

@marwinsegler

Dadx2, Machine Learning, {Org, Med, Comp} Chem, AI-assisted Scientific Discovery & Creativity, Music. @ELLISforEurope Scholar. @MSFTResearch AI for Science

+ Follow

Connor W. Coley

@cwcoley

Assistant Professor @MITChemE & @MITEECS | ChE, Chem, AI/ML, etc. for accelerating molecular synthesis and discovery | coley.mit.edu | he/him

+ Follow

Kresten Lindorff-Larsen

@lindorfflarsen

Protein and coffee lover, father of two, professor of biophysics and sudo scientist at the #LinderstrømLang Centre for Protein Science 🇩🇰

+ Follow

Living Journal of Computational Molecular Science

@livecomsj

The Living Journal of Computational Molecular Science (LiveCoMS) provides a peer-reviewed home for living articles in this subject area.

+ Follow

Cole Group

@colegroupncl

We are a computational research group @UniofNewcastle led by #UKRIFLF Dr Danny Cole specialising in atomistic simulations in medicinal chemistry and biology.

+ Follow

ForliLab

@forlilab

Molecular Modeling & Drug Design. The lab of Stefano Forli at Dept. of Integrative Structural & Computational Biology @scrippsresearch Home of the AutoDock

+ Follow

Seyone Chithrananda

@seyonec

🇨🇦 in SF | cs/bioe @ucberkeley, @BerkeleyML, learning @doudna_lab | prev: @arcinstitute, @MSFTResearch, @dyno_tx

+ Follow

Theoretical & Computational Biophysics Department

@compbiophys

news and views from the research groups of H. Grubmüller, B. de Groot and A. Godec @mpi_nat Göttingen, Germany, Imprint: mpinat.mpg.de/en/imprint

+ Follow

Lucy Colwell

@lucycolwell37

+ Follow

Chanin Nantasenamat

@thedataprof

🥑 Sr. Developer Advocate for @streamlit at @SnowflakeDB ▶ Data Professor on YouTube (200K+ Subs) 🎓 ex-Professor in Bioinformatics

+ Follow

Parrinello Group

@groupparrinello

Prof. Michele Parrinello research group Molecular simulations at the interface of Physics, Chemistry & Biology IIT Genova @IITalk Account run by PhDs/postDocs

+ Follow

Rommie Amaro

@rommieamaro

Professor @UCSanDiego. Computational chemist & biophysicist, multiscale modeler. Viruses. Cancer. Unapologetically molecular.

+ Follow

Xin Qi

@xin_qi_qcg

Be creative | Assistant Professor @DartmouthChem | Computational Chemistry | Love my two dogs | She/her/hers

+ Follow

Levi "Xans" Naden

@levixansnaden

Software Scientist @MolSSI_NSF. Chem E PhD in Free Energy. "MD is often a Thunderdome match between The Monty Python Rabbit and a crate of Sentient Oranges."

+ Follow

OpenMM

@openmm_toolkit

OpenMM: A high performance toolkit for molecular simulation openmm.org

+ Follow

TheRealAmoo 🤖🧪

@mehradansari

Accelerating materials discovery one line of code at a time at @acceleration_c. ChE Ph.D. from @UofR. I try to advocate for open science and equality here.

+ Follow

SAIMS

@saims_official

South American Initiative on Molecular Simulations

+ Follow

Jeetain Mittal

@jeetainmittal

Professor of Chemical Engineering. Interested in assemblies of proteins, nucleic acids, nanoparticles ...

+ Follow

Jules Nde

@julesnde2

I am a physicist at the University of Washington. I use computational and statistical approaches to understand how cells perform its function.

+ Follow

Molecular Machine Learning

@molecularml

Team-run account of the Molecular ML research group led by @fra_grisoni | #AI for Drug Discovery | Doing all this at @tueindhoven & @ICMStue

+ Follow

Xuhui Huang

@xuhuihuangchem

Hirschfelder Chair, Professor of Chemistry @UWMadisonChem, Director @TCI_UW_Madison, Theoretical chemistry & Biophysics, Blue Sky: @xuhuihuangchem.bsky.social

+ Follow

Diego Nolasco

@donolasco

Computational Biophysicist serving as Scientific Project Manager @OpenMSF working on both @OpenForceField and @OpenFreeEnergy initiatives.

+ Follow

Jessica Swanson

@jmjs_sci22

prof of computational biophysics @UUtah | multiscale simulations | climate-focused research | methane mitigation

+ Follow

Menachem Elimelech

@theelimelechlab

Elimelech Research Group. We study membranes and materials to meet the ever-growing need for clean, safe, and affordable water. And we have fun doing it!

+ Follow

Marco De Vivo

@devivo_marco

Lab Head & Associate Director at @IITalk. Exec Editor of JCTC (@ACSPublications). Director cecamsimul.eu. Co-Founder @IAMABiotech. Passionate about science!

+ Follow

Vojtech Spiwok 🇺🇦

@spiwokv

Professor at UCT Prague interested in biomolecular simulations, enhanced sampling techniques, structural bioinformatics and drug design.

+ Follow

Kevin K. Yang 楊凱筌

@kevinkaichuang

Principal Researcher in BioML @MSFTResearch (@MSRNE). He/him/他. 🇹🇼

+ Follow

Loong bio/acc

@bzlwang

Quantum chemistry, supercomputing, biotechnology, and philanthropy. Co-founder of @qdxco. Co-founder of @automeratx.

+ Follow

Frank Noe

@franknoeberlin

Scientist, #MachineLearning and #AI for the Sciences (esp. Physics/Chemistry). Scuba Diver and Traveler.

+ Follow

Hadley Sikes @sikeslab.bsky.social

@sikeslab

Prof. @MITChemE, PI in AMR IRG, SMART, Singapore. Assoc Editor, Bioengineering and Translational Medicine (AIChE). Engineering design for human health.

+ Follow

Patrick Charchar

@patrickcharchar

Postdoctoral research fellow using computational molecular modelling to explore the nano-bio world.

+ Follow

James W. Harris

@jwharriscatal

Asst. Professor, Chemical and Biological Engineering, U. Alabama Kineticist | Chemical Engineer

+ Follow