Hegoi Manzano

@hegoimanzano

Somewhere between #physics #chemistry and #materialscience, teaching and researching @upvehu @ztf_fct. In love with two girls and two dogs

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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

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Nacho Pascual

@natxopas

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Joxerra Bengoetxea

@bengoetxeaehu

UPV/EHUko Errektorea | Rector de la UPV/EHU | Président de l’Université du Pays Basque | Principal (Provost) of the Basque Country University

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Siddarth Achar

@siddarth_achar

Postdoc @UChicagoPME @FergLab | Prev: PhD @jkjquantum @PittTweet, MS @CMU_ChemE, BS @rvce_official | molecular modeling + machine learning

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Jim Pfaendtner

@jimpfaendtner

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

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Jesus M Lopez Marti

@jmlopezmarti

Bioinformàtic i tastaolletes

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Nikhil Rampal

@rampalnikhil

Current: Postdoc - QSG - @Livermore_lab. Past PhD @ChemeCU and @ORNL. Applying enhanced sampling in atomistic simulations.

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Ricardo Grau-Crespo

@rgraucrespo

Assoc. Prof. of Materials Theory @UniRdg_Chem, UK. Energy Materials, Disorder in Solids, Machine Learning. Assoc. Editor @JMaterChem A.

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Henrik Sveinsson

@henriksveinsson

Fysiker @unioslo.

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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. 🏳️‍🌈

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Ion Errea

@ionerrea

Associate Prof. @upvehu. Leader of the Quantum Theory of Materials group @CFMdonostia. Research associate @DIPCehu, @ERC_Research grantee, member of @jakiunde

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Michele Invernizzi

@inve_michele

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

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Luigi Bonati

@luigibonati

Researcher @IITalk - Working on atomistic simulations, machine learning & enhanced sampling

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Enrico

@enrico_drigo

PhD student @ SISSA in the Theory and Numerical Simulation of Condensed Matter course

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Euskampus

@euskampus

Campus of International Excellence, led by @upvehu in aggregation with @tecnalia, @dipcehu and @univbordeaux.

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Federico Zipoli

@federicozipoli

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TheoChem_EHU

@theochem_ehu

This is the official Twitter of the Theoretical Chemistry Group at the University of the Basque Country (UPV/EHU) . Find us also on FB: facebook.com/pages/Theo-Che…

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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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Venkat Kapil

@venkatkapil24

Asst Prof in Computational Materials Science @ucl Physics Previously: Fellow @ChurchillCol, Oppenheimer Research Fellow @ChemCambridge & @IITKanpur Alumnus

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Yue-Wen FANG

@yuewenfang

Peace! Appreciating Diversity! Aldapan gora. @CFMdonostia, @CSIC tenured scientist.

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Tarak Karmakar

@tarakchem

Assistant Professor, Dept of Chem @Chemistry_IITD @IITDelhi | Molecular dynamics, Enhanced sampling & Machine learning | Teaching | Exploring world & life! 🇮🇳

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Simune Atomistics S.L.

@simuneatomistic

Software & consulting offering atomistic simulations and training to industry and academia. Expertise in SIESTA and Abinit among many others.

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Pavlo Dral

@pavlodral

Professor at Xiamen University, theoretical chemist, #compchem, #ML, #AI, #mlchem Ukrainian

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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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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

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Michele Ceriotti

@micheleceriotti

Italian in Switzerland, @lab_COSMO PI. Husband of one, father of three. Increasing the entropy of the universe since 1982.

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Frank Noe

@franknoeberlin

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

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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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COSMO Lab

@lab_cosmo

Computational Science and Modelling of materials and molecules at the atomic-scale, with machine learning. Join us in the fediverse @[email protected]

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Kresten Lindorff-Larsen

@lindorfflarsen

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

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PLUMED

@plumed_org

#PLUMED is a plugin for enhanced sampling and analysis of #moleculardynamics simulations.

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CECAM

@cecamevents

CECAM (Centre Européen de Calcul Atomique et Moléculaire) was founded in Paris in 1969 by Dr Carl Moser. Follow us also on BlueSky: @cecamevents.bsky.social

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The Journal of Chemical Physics

@jchemphys

The MOST CITED journal in chemical physics publishing cutting edge research in all areas of modern #chemicalphysics and #physicalchemistry at @AIP_Publishing

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Tuckerman Group

@grouptuckerman

We perform research in theoretical chemistry, specifically classical and quantum statistical mechanics and machine learning methods applied to condensed phases.

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Vojtech Spiwok 🇺🇦

@spiwokv

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

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Giovanni M. Pavan Lab

@labpavan

Into self-assembly, complex molecular systems & materials science w/ computer models, simulations & machine learning | Managed by @LabPavan members @PoliTOnews

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Max Bonomi

@bonomimax

Head of Computational Structural Biology Lab @institutpasteur. ERC-CoG 2022 @ERC_Research. DR @CNRS. Founder/developer @plumed_org

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RCICAE-Argentina España

@rcicae

Red de la Comunidad Investigadora y Científica Argentina en España (RCICAE) Contacto: [email protected]

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Hsin-Yu Ko

@hsinyuko

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Daniel Hernangómez Pérez

@d_hernangomez

"Quantum Mechanic" & Gipuzkoa Fellow at CIC @nanogune

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Julia Wiktor

@julia_wiktor

Associate Professor at Department of Physics, Chalmers.

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Timothée Devergne

@tdevergne

PhD from @Sorbonne_Univ_, now postdoc @IITalk. Doing machine learning to study physical and chemical transformations(He/Him)

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Francesco Paesani

@f_paesani

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David de Sancho

@daviddesancho

protein folder, father of two at @ehu_kimika & @DIPCehu

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Kimika Fakultatea UPV/EHU

@ehu_kimika

Kimika Fakultatea, Euskal Herriko Univertsitatea Facultad de Química, Universidad del País Vasco Faculty of Chemistry, University of the Basque Country

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Etienne Palos

@etiennepalos

PhD candidate @PaesaniLab @UCSanDiego | @NSF GRFP & @SloanFoundation | @ThinkSwiss fellow @unifrChemistry | B.S. @UNAM_MX

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Miguel M. Ugeda

@m_ugeda

Physicist at @DIPC. Head of 2DSPM group (2dspm.com)

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Mariana Medina-Sánchez

@marianamedinas6

Ikerbasque Research Professor at @nanoGUNE, Group Leader @BCUBE_TUDresden, ERC Stg grantee. Medical microbots, infertility, biosensing, cancer

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Thomas Frederiksen

@thofrederiksen

Ikerbasque Research Professor @ Donostia International Physics Center (DIPC) @DIPCehu @Ikerbasque #nanoscience #nanoelectronics

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Celia Rogero

@celiarogero

CSIC researcher.

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Dr S. Acosta-Gutiérrez (she/her)

@sacosta_gut

Computational Physicist with a thing for Biology - Senior Computational Biology @ InstaDeep

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Stefano Falletta

@fallettastefano

AI Physicist | Radical AI | Harvard

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Greg Dignon

@dignon_lab

Official account of Dignon lab at Rutgers Chemical and Biochemical Engineering.

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Fabienne Bachtiger

@fbachtiger

PDRA in @UCL_MMEgroup / mum. Views my own

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Davide Ceresoli

@davide_ceresoli

Senior scientist at CNR-SCITEC #scitec. Computational materials scientist #quantumespresso. DFT code development. Cat lover and amateur musician (saxophone)

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Vahideh Alizadeh

@vahidehalizadeh

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Hylleraas Centre for Quantum Molecular Sciences

@hylleraas

Norwegian Centre of Excellence. We develop and apply methods to simulate complex molecular systems interacting with fields and radiation.

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TCPUniLu

@tcpunilu

Theoretical Chemical Physics Group of Prof. Alexandre Tkatchenko at the University of Luxembourg @uni_lu

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CompSurfChem@Warwick

@compsurfchem

computational surface science research group; dynamics at surfaces, photoelectrocatalysis, machine learning, PI: @reinimau; account run by team, @warwickchem

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Enrico Trizio

@trizioenrico

PostDoc | @GroupParrinello at @IITalk

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Rafael Rodrigues Del Grande

@rafaeldelgrande

Postdoc from 🇧🇷 at @UCMercedPhysics. I study light induced changes in materials using awesome super computers 👨‍💻🤘 Married, father of two and play 🎸

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Debdas Dhabal

@dhabaldebdas

Assistant Professor, @IITGChem @IITGuwahati, Former Post Doc: @UUtah & @Penn, PhD: @iitdelhi Computational Materials Chemistry, #Macromolecules, #Biomaterials

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Lennard-Jones Centre

@ljc_cam

The LJC brings together the molecular and materials modeling community at the University of Cambridge

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SSCHAcode

@sscha_code

The SSCHA is a computational package to simulate thermodynamic and phononic properties of materials accounting for full anharmonicity and quantum effects

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David Casanova

@dcasanova_dipc

Researcher at the DIPC

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Nicholas

@nicholasfrancia

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Andrew S. Rosen

@andrew_s_rosen

Assistant Professor at @Princeton. Quantum-chemical engineer.

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Laboratoire de chimie de coordination

@lcc_cnrs

Laboratoire @CNRS spécialisé en #synthèse #réactivité #chimie #hétérochimie. Le LCC #Toulouse est rattaché à @INC_CNRS ainsi que @UT3PaulSabatier @toulouseinp

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