James Kermode

@jameskermode

Professor @WarwickEngineer, director of @WCPredMod and @HetSysCDT. Develop multiscale materials modelling methods and software. Views own. He/him

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JK Lyu

@jiankun_lyu_

Assistant professor @RockefellerUniv, former postdoc in @BShoichet lab @UCSF.

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Andrea Anelli

@andrea_anelli

Digitalisation and AI scientist @ Roche // PhD EPFL // Machine Learning / Solid State Chemistry / formulation modelling

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Nick Hine

@nickhine82

Professor @warwickuni @WarwickPhysics @[email protected]

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Piotr Piecuch

@piecuchpiotr

Univ. Dist. Prof. & MSU Foundation Prof. at Michigan State University, quantum chemistry and physics, proud husband and dad (started tweeting in late Dec. 2019)

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Jan Weinreich

@weinreichjan

Founder/CEO Quastify Materials Opinions my own Physics first , Machine learning 2nd.

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Reinhard Maurer

@reinimau

Professor of #compchem/phys, University of Warwick Surface Science, nonadiabatic/quantum dynamics, ML/AI, PI of @compsurfchem @reinimau.bsky.social

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Philip

@philipwur

Materials & Machine Learning @tudelft

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Holger Kruse

@hokru_science

Theoretical Chemist and Software Engineer. Loud bass player. Senior Scientist @ Pending.AI. He/Him. Personal account.

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Anatole von Lilienfeld

@profvlilienfeld

FOLLOWS YOU Prof @UofTArtSci @UofTEngineering @researchuoft @acceleration_c @VectorInst; youtube.com/c/ProfvonL

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Randall Snurr

@randallsnurr

John G. Searle Professor of Chemical & Biological Engineering @NorthwesternU

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Shay Chaudhuri

@cshy97

Postdoc in #compchem in the group of @ai4green, @ChemistryUoN | Former postdoc & PhD in @compsurfchem, @warwickchem

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Doug Miller

@doug_miller10

MSc Student at Université de Lille 1 and Universität Leipzig | BSc in Chemistry from the University of Victoria

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ScaDS.AI

@sca_ds

#AI #KI #KünstlicheIntelligenz #BigData #MachineLearning: Center for Scalable Data Analytics and #ArtificialIntelligence. Cooperation: @UniLeipzig @tudresden_de

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Robin Curth

@curthrobin61201

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FHI-aims

@fhi_aims

All-electron electronic structure theory with numeric atom-centered orbitals.

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Sara

@__sara_w_

Quantum chemist 👩‍🎓 turned data scientist. Either found in front of a screen🎮👩‍💻, book or in the outdoors 🧗‍♀️🏖🚵🏼‍♀️.

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Antonia Mey

@ppxasjsm

PhD, Chancellor's Fellow @EdinburghChem, Computational Chemist and Maths public engagement enthusiast. (she/her) 🇺🇦

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Johannes Kästner

@groupkaestner

Computational Chemistry prof. @Uni_Stuttgart, simulating reaction mechanisms, atom tunneling, #astrochemistry, #MachineLearning. @johanneskaestner.bsky.social

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the Piquemal Group

@piquemalgroup

#compchem Research Group @ Sorbonne Université/CNRS, led by @jppiquem ⚠ Frozen account 👉Follow us on Bluesky bsky.app/profile/piquem…

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CRC 1415

@crc1415

The CRC 1415 is a initiative with @tudresden_de, @uni_ulm, @tu_muenchen, @HZDR_Dresden, @IPFDD, @dresden_ifw and @dresden_concept, funded by @dfg_public

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Leipzig_forscht

@leipzig_forscht

Von @Dresden_forscht aus gesehen etwas weiter links. Kontakt @jeb_140.

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Ganna (Anya) Gryn’ova 🇺🇦

@grynova_ccc

Associate Professor of Computational Chemistry, University of Birmingham

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Moritz R Schäfer

@moritzrschfer1

PhD student at @GroupKaestner. Interested in theoretical chemistry and deep learning. MSc. from @UniPadova and @jlugiessen.

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Jigyasa Nigam

@jigyasa_nigam

Postdoc @MIT, curious physicist unraveling the unknown #openscience👩‍🔬📚 Prev: @lab_COSMO @EPFL, @MSFTResearch, @NASAJPL, @LIGO @Caltech, @scienceANU

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Miguel Caro

@m_a_caro

Computational materials physics/chemistry/whatever. Senior Scientist & Academy of Finland Research Fellow, Aalto University

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Matthias Rupp

@_matthiasrupp

Machine Learning for Physics, Chemistry, and Materials

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Thom Group Cambridge

@thomgroupcam

Research group @Cambridge_Uni studying where and why existing electronic structure methods fail and designing improved algorithms. #CompChem

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Simon Olsson

@smnlssn

Associate Professor at @chalmersuniv. @WASP_Research Fellow. ELLIS Member.

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Andres Henao

@andres_molsim

Bringing ML-AI into materials discovery / #compchem by heart previously #AvH fellow @upb and PhD @upc/ Diving into the #altac life

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Hugh Burton

@hughgaburton

Theoretical chemist and Royal Society University Research Fellow @UCLChemistry, previously @downingcollege and @NewCollegeOx. Photo Credit: Perry Hastings

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Dorothea Golze

@dorotheagolze

Computational chemist/physicist

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Riccardo Capelli

@ric_capelli

Physicist that presses buttons fast ⌨️ Assistant Professor (rtdB) at the University of Milan @LaStatale 🇮🇹

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David Hernández Castillo

@davidhdez92

PraeDoc at @theo_chem @univienna. 🇨🇺 🇦🇹 scholar.google.com.cu/citations?user…

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Ludwig Schwiedrzik

@lschwierig

PhD student with @theo_chem, studying water oxidation catalysis using DFT | Interested in CompChem & ML for catalysis & materials | Tweets are mine (he/him)

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Stefano Battaglia

@stefabat

Professional electronic structure theorist: married with wave function, cheating with the density. 💻 OpenMolcas & CP2K developer #compchem

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Philippe Schwaller (he/him)

@pschwllr

Tenure-Track Assistant Professor of Digital Chemistry at @EPFL with @SchwallerGroup | @NCCR_Catalysis | prev @IBMResearch @forRXN | ML/AI-accelerated Chemistry

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Nadja K. Singer (she/her)

@nadja_k_singer

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Kirchner Research Group

@kirchner_group

Official student-run twitter of the Barbara Kirchner research group. Computational chemistry and ionic liquids. Mulliken Center, University of @UniBonn.

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marcel ⊙

@marceldotsci

Trying to build better machine-learning surrogate models for DFT. Postdoc @lab_cosmo 👨🏻‍🚀.

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Barak Hirshberg 🎗️

@barak_hirshberg

#MolecularSimulations | Asst. Prof. @TelAvivUni 🇮🇱 | PD: Rothschild Fellow @GroupParrinello @ETH_en 🇨🇭 | PhD: Adams Fellow, w/Benny Gerber @HebrewU | #newPI

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Theoretical Chemistry at TU Dresden

@theochem_tud

Chair of Theoretical Chemistry @tudresden_de of prof. @ThomasHeine14 with @DorotheaGolze Emmy-Noether and Rico Friedrich @DRESDEN_concept junior groups

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Jan Unsleber

@nabbelbabbel

Researcher and Software Engineer (Theoretical Chemistry, #CompChem). Currently: @MSFTQuantum🇩🇰. Formerly: Post-Doc @ETH 🇨🇭, PhD @uni_muenster 🇩🇪.

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ViRAPID

@virapid

Vienna Research Platform for Accelerating Photoreaction Discovery —- A joint adventure of L. González, C. Dellago and U. Stefanelli at U Vienna

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Josh Rackers

@joshrackers

Always Dada, sometimes a scientist, occasionally funny.

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Bora Karasulu

@karasuluteam

Research group of Dr. Bora Karasulu, Department of Chemistry, University of Warwick

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Bannwarth Lab

@bannwarthtc

Theoretical Chemistry Research Group at RWTH Aachen University

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Maren Podewitz

@podewitzlab

Computational chemist exploring the world. New PI @tuvienna.

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Kjell Jorner

@kjelljorner

Assistant Professor of Digital Chemistry at @ETH_DCHAB. Leader of the @DCL_ETHZ. Making chemistry more sustainable within @NCCR_Catalysis. Views my own.

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Kevin Rossi

@_rossikevin

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