Modeling Matters! @StackMatter

Matter Modeling Stack Exchange! materials.stackexchange.com Joined May 2020

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taciteloquence @taciteloquence

4 years ago

An excellent question! mattermodeling.stackexchange.com/q/7065/97 @StackMatter Would you be willing to take a crack at it, @GeoffHutchison

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Cody Aldaz @CodyAldaz

4 years ago

An interesting question: What GUIs are there for computational chemistry? mattermodeling.stackexchange.com/questions/7065… @EntosAI @StackMatter

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Modeling Matters! @StackMatter

4 years ago

An @AvogadroChem question at MMSE for #Linux users. Maybe @ghutchis knows the answer? #compchem #chemistry #Molecular mattermodeling.stackexchange.com/q/4802/5

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Andrew S. Rosen @Andrew_S_Rosen

5 years ago

My ideal publishing vision: 1. Everything on a field-specific pre-print server 2. Can be peer-reviewed 3. Clear indicator if it passes peer-review 4. Reviews made public 5. Can be perpetually updated w/ new DOI (re-review depends on scope of edits) 6. Allow (moderated) comments

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Modeling Matters! @StackMatter

5 years ago

50 point bounty for this @AvogadroChem question! @ghutchis. #compchem #quantumchemistry #quantum #chemistry @OpenBabel_org @openbabel1 #Software #DFT #compphys #physics #Ubuntu #Linux #Git #AI #condmat @StackExchange #materialsModeling #chemo #materials mattermodeling.stackexchange.com/q/2163/5

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Andrew S. Rosen @Andrew_S_Rosen

5 years ago

3. "What differences are there when modeling MOFs as isolated clusters or periodic solids?" mattermodeling.stackexchange.com/questions/3765…

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Andrew S. Rosen @Andrew_S_Rosen

5 years ago

2. "What are the pitfalls for the simulation of MOF materials with VASP?" mattermodeling.stackexchange.com/questions/3760…

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Cory Simon @CoryMSimon

5 years ago

@Andrew_S_Rosen @StackMatter this is awesome! I will share this stack exchange group with my students. grad students should share and document their knowledge widely for the progress of science!

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Andrew S. Rosen @Andrew_S_Rosen

5 years ago

A MOF trifecta has appeared on @StackMatter! I try to provide some insight below. 1. "Where to obtain MOF structures suitable for carrying out DFT simulations?" mattermodeling.stackexchange.com/questions/3763…

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Protima @protimaranipaul

5 years ago

RDKIT: Please help us solve @StackMatter mattermodeling.stackexchange.com/questions/1926…

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Cody Aldaz @CodyAldaz

5 years ago

Interesting question! I’d have to dust a few books out to get this one mattermodeling.stackexchange.com/q/4245/52?stw=2 @StackMatter

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Cody Aldaz @CodyAldaz

5 years ago

@laura_mckemmish Could you post this question on @StackMatter mattermodeling.stackexchange.com I want to solve the same problem, so sending it out to more people might help.

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Cody Aldaz @CodyAldaz

5 years ago

I’m offering a bounty for computational methods to passivate surfaces @StackMatter #CompChem mattermodeling.stackexchange.com/q/4203/52

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Cody Aldaz @CodyAldaz

5 years ago

An interesting question: Which ensemble to use for a molecular dynamics simulation? mattermodeling.stackexchange.com/q/4252/52?stw=2 @StackMatter

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Modeling Matters! @StackMatter

5 years ago

Advice for any early-career academics!

Academia SE @StackAcademia

5 years ago

Advice for any early-career academics!

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Modeling Matters! @StackMatter

5 years ago

A great question by @ndattani about @jay_chou and @linjunjie! Re-tweet !!!

Chinese SE @StackChinese

5 years ago

A great question by @ndattani about @jay_chou and @linjunjie! Re-tweet !!!

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Andrew S. Rosen @Andrew_S_Rosen

5 years ago

@ifndef_define If you are interested in #DFT #workflow tools, you may be interested in my recent answer (and the other answers) to this question on the Matter Modeling @StackExchange (@StackMatter): mattermodeling.stackexchange.com/questions/1586…

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Modeling Matters! @StackMatter

5 years ago

Do any #computational #chemists know anything about the #Cheminformatics software @RDKit_org? Please help our user that is encountering some errors! @cheminformatics @cheminformatiks @ZhuLaboratory #Python #Anaconda #MachineLearning #AI #protein @OPIGlets @dr_greg_landrum #DFT

Protima @protimaranipaul

5 years ago

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Chemist, Scientist, Husband, Dad, Runner, Teacher. I develop @AvogadroChem + @OpenBabel_org to find new materials for energy applications @Pitt_Chemistry he/him

Geoff Hutchison (@ghu... @ghutchis

2K Followers 2K Following Chemist, Scientist, Husband, Dad, Runner, Teacher. I develop @AvogadroChem + @OpenBabel_org to find new materials for energy applications @Pitt_Chemistry he/him

SEAS Postdoctoral fellow @harvard|
PhD at @jncasr |
Computational Physics | Modeling and Simulation of Materials| Materials Theory Lab|

Raagya Arora @AroraRaagya

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

Tuckerman Group @GroupTuckerman

4K Followers 102 Following We perform research in theoretical chemistry, specifically classical and quantum statistical mechanics and machine learning methods applied to condensed phases.

Theoretical chemistry group @UCB_Chemistry, working in the areas of quantum dynamics and nonequilibrium statistical mechanics https://t.co/pqpnFjY6kn

limmerlab @limmerlab

2K Followers 308 Following Theoretical chemistry group @UCB_Chemistry, working in the areas of quantum dynamics and nonequilibrium statistical mechanics https://t.co/pqpnFjY6kn

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Avinash Singh Nayal @AvinashNayal

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Prismo @branchialspace

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Hariharan Ramasubrama... @rf_hari

70 Followers 393 Following PhD student at @CarnegieMellon | Prev Research Intern: at @Applied4Tech, @argonne, @genentech

M.D. from
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Currently at Department of Clinical Biochemistry, Marmara University Faculty of Medicine

Alp Güven @panoptikon2023

7 Followers 257 Following M.D. from Istanbul University Currently at Department of Clinical Biochemistry, Marmara University Faculty of Medicine

Tapas Sahoo @TapasSahoo4

13 Followers 132 Following PostDoc

@irratzo@bsky.social • machine learning density functional theory • PhD student @fz_juelich • Fellow of @hds_lee graduate school. https://t.co/uh4N9agvDq

Johannes Wasmer @JohannesWasmer

225 Followers 554 Following @[email protected] • machine learning density functional theory • PhD student @fz_juelich • Fellow of @hds_lee graduate school. https://t.co/uh4N9agvDq

Shaclassics @Shaclassics

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Asmaa Abo-Elnaga @asmaa_aboelnaga

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Indika @Indibandara

19 Followers 470 Following Materials, computers and philosophy

Roshan Shrestha @roshan_shrestha

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Optical tweezers,Light Sheet microscopy, Brownian Dynamics and Monte Carlo simulation👩‍💻,Casimir Forces, Connection between the brain and gut 🐟 🧠 🦠🔬👩‍🔬

Norma Caridad Palmero... @NormaPalmero

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NumberCruncher @AbhijeetJK

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276 Followers 106 Following Computational materials scientist / Assistant professor @NorthumbriaUni / HackThePlanet

PhD candidate and TA at @CmuScience. Computational Quantum Chemist. Julia/Rust developer in Scientific Computing tools. 🤓 💻🧪⚛️✝️🙋🏻‍♀️

Leticia Madureira @LetciaMariaPeq1

3K Followers 5K Following PhD candidate and TA at @CmuScience. Computational Quantum Chemist. Julia/Rust developer in Scientific Computing tools. 🤓 💻🧪⚛️✝️🙋🏻‍♀️

Aravind Krishnamoorth... @arv_kris

11 Followers 22 Following

Jessie @KerrBlackHoles

55 Followers 339 Following First-principles calculations

David G. Mikolas @dgmikolas

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shakil @shakil1905

14 Followers 569 Following web developer & machine learning enthusiast.

SCM @SCM_Amsterdam

2K Followers 2K Following Working on tough chemistry & materials R&D challenges? Try the Amsterdam Modeling Suite! https://t.co/jpvVz5ahiO

Michele Reticcioli @MReticcioli

90 Followers 187 Following 🇮🇹 Univ. Ass. researcher in Quantum Materials Physics @univienna 🇦🇹

Mbarek OUSSOUS @OussousMbarek

0 Followers 61 Following

Diego Mendoza @diegomdfer20

201 Followers 3K Following

Beck Research Group @ University of Kentucky - Dr. Matthew J. Beck, PI - DFT, FEM, multi-scale modeling, materials engineering, materials design

Computational Materia... @CompMatSciUKY

305 Followers 347 Following Beck Research Group @ University of Kentucky - Dr. Matthew J. Beck, PI - DFT, FEM, multi-scale modeling, materials engineering, materials design

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r @Roy_0017

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598 Followers 379 Following Technical Marketing

Rashid Rafeek @rashidrafeek

59 Followers 403 Following

MetaSimulation of NonEquilibrium Processes - we deal with all kinds of matter (soft, hard, passive, active) with theory, simulations and machine learning

TheMSNEPGroup @TheMSNEPGroup

1K Followers 3K Following MetaSimulation of NonEquilibrium Processes - we deal with all kinds of matter (soft, hard, passive, active) with theory, simulations and machine learning

Lena Simine @thesiminegroup

360 Followers 261 Following Assistant professor of chemistry at McGill doing theoretical and computational research.

Exxact powers the world's greatest advancements with HPC and AI infrastructures that accelerate innovation and solve complex problems.

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Sheraz ⚛️🐍 @sherazk_awan

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Thomas Mathew @PhysicsMathew

26 Followers 94 Following Assistant Professor in Physics. Interested in Computational Condensed Matter Physics

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3K Followers 4K Following Person.

Lucas Rodrigues da Si... @Luc4s_R0drigues

264 Followers 493 Following PhD student in Chemistry at the University of São Paulo (USP)

Ania Wronski @AniaWronski

126 Followers 408 Following Journal Launch Manager @FrontiersIn for #Bioscience, #Sustainability, #Humanities and #SocialSciences

Ph.D. scholar at #JNCASR, Bengaluru, India. Studying #Liquids using ab initio and classical molecular dynamics simulations. #CompChem #MD

Anjali Gaur @Gaur_Anjali_

75 Followers 259 Following Ph.D. scholar at #JNCASR, Bengaluru, India. Studying #Liquids using ab initio and classical molecular dynamics simulations. #CompChem #MD

Chibani Hosayn @CHosayn

2 Followers 60 Following

Mohammad R. Vaziriser... @MVazirisereshk

128 Followers 292 Following Product Engineer at Lam Research

Shashank Arunkumar @Shashank_A_

43 Followers 439 Following Undergraduate student @SJCbengaluru | @PsaSju | Aspiring experimental physicist

Miłosz Rybak @M65671035

10 Followers 44 Following Quantum engineering, physics, condensed matter, DFT, TMDCs

Kumlachew Hailu @tiruhailu

1 Followers 32 Following

Postdoc @BerkeleyLab, Previously @ORNL, @PNNLab, @WSUpullman, @UUtah | Interested in ChemTopology, ChemNetworks and MLIPs. | Expertise in Interfacial PChem.

Nitesh KM @kmnitesh05

1K Followers 2K Following Postdoc @BerkeleyLab, Previously @ORNL, @PNNLab, @WSUpullman, @UUtah | Interested in ChemTopology, ChemNetworks and MLIPs. | Expertise in Interfacial PChem.

Martin Head-Gordon Gr... @mhg_group

3K Followers 534 Following Official twitter for the Martin Head-Gordon Group at UC Berkeley (sadly, not run by the man himself).

Geoff Hutchison (@ghu... @ghutchis

2K Followers 2K Following Chemist, Scientist, Husband, Dad, Runner, Teacher. I develop @AvogadroChem + @OpenBabel_org to find new materials for energy applications @Pitt_Chemistry he/him

CEO & Founder, Chemify. Regius Professor, Scientist & Inventor. Fascinated & in a state of confusion & optimism. Trying to digitize chemistry & make alien life.

Prof. Lee Cronin @leecronin

53K Followers 766 Following CEO & Founder, Chemify. Regius Professor, Scientist & Inventor. Fascinated & in a state of confusion & optimism. Trying to digitize chemistry & make alien life.

Tuckerman Group @GroupTuckerman

4K Followers 102 Following We perform research in theoretical chemistry, specifically classical and quantum statistical mechanics and machine learning methods applied to condensed phases.

limmerlab @limmerlab

2K Followers 308 Following Theoretical chemistry group @UCB_Chemistry, working in the areas of quantum dynamics and nonequilibrium statistical mechanics https://t.co/pqpnFjY6kn

Computer Vision Research Engineer III at Toyota Material Handling #TeamToyota #OneToyota #ComputerVision #DeepLearning #cvpr2025 #cvpr

Mona Jalal @ cvpr2025 @MonaJalal_

3K Followers 348 Following Computer Vision Research Engineer III at Toyota Material Handling #TeamToyota #OneToyota #ComputerVision #DeepLearning #cvpr2025 #cvpr

🐦🔫 - find us on #Mastodon: @scipost@scipost.social.

Building the future of publishing: Genuine Open Access, by and for scientists, entirely not-for-profit.

SciPost.org @scipost@... @scipost_dot_org

2K Followers 473 Following 🐦🔫 - find us on #Mastodon: @[email protected]. Building the future of publishing: Genuine Open Access, by and for scientists, entirely not-for-profit.

Staff Scientist @Livermore_Lab. Core developer for thermodynamic software tools ESPEI (https://t.co/OxAJ1s0buG) and PyCalphad (https://t.co/rpUWkv1883)

Brandon Bocklund @BrandonBocklund

81 Followers 160 Following Staff Scientist @Livermore_Lab. Core developer for thermodynamic software tools ESPEI (https://t.co/OxAJ1s0buG) and PyCalphad (https://t.co/rpUWkv1883)

School run by some of the world's best scientists and computer programmers at HPQC Labs, a High Performance & Quantum Computing research institute. https://t.co/kb8hUJVtRV

HPQC College @HpqcCollege

4 Followers 1 Following School run by some of the world's best scientists and computer programmers at HPQC Labs, a High Performance & Quantum Computing research institute. https://t.co/kb8hUJVtRV

Thomas Mathew @PhysicsMathew

26 Followers 94 Following Assistant Professor in Physics. Interested in Computational Condensed Matter Physics

Stanford Science Fellow, computational chemist focusing on reaction discovery and synthesis planning in photochemistry.

Cody Aldaz @CodyAldaz

162 Followers 278 Following Stanford Science Fellow, computational chemist focusing on reaction discovery and synthesis planning in photochemistry.

Brian Ferrari @Cavenfish

29 Followers 87 Following Chemistry PhD Student at Leiden University | 🇧🇷 🇺🇸

Professor at Georgia Tech. Theoretical Chemistry, Algorithms, and Scientific Computing. One of the lead PI's of Psi4 (@PSI_Code) and Editor for @JChemPhys

David Sherrill @cd_sherrill

2K Followers 49 Following Professor at Georgia Tech. Theoretical Chemistry, Algorithms, and Scientific Computing. One of the lead PI's of Psi4 (@PSI_Code) and Editor for @JChemPhys

Computational and The... @ctcgunab

3K Followers 2K Following Computational and Theoretical Chemistry Group at @uandresbello, in Santiago, Chile

@ Institute of advanced materials-Wroclaw University of Science and Technology. Formerly: LEM/IQ-USP.
Spectroscopy by day. CompChem by night. All day.

Vitor Paschoal @not_pascal

187 Followers 732 Following @ Institute of advanced materials-Wroclaw University of Science and Technology. Formerly: LEM/IQ-USP. Spectroscopy by day. CompChem by night. All day.

Meilani Wibowo @wibowo_meilani

56 Followers 136 Following Research Fellow in the School of Chemistry, University of Nottingham

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35 Followers 209 Following

An3 @An3RoN

1 Followers 75 Following iop

Jan Jensen (janhjense... @janhjensen

9K Followers 608 Following Computational chemist at the University of Copenhagen. PChem Editor-in-Chief @PeerJChemistry. #compchem

MolSSI @MolSSI_NSF

5K Followers 81 Following A nexus for science, education & cooperation serving the global community of computational molecular scientists.

Emergency Call Handling Supervisor @Ldn_Ambulance. Software developer of sorts; CTO @CodidactQA. He/him. Opinions my own. 🏳️‍🌈

J 💙🏳️‍🌈 @_ArtOfCode

253 Followers 396 Following Emergency Call Handling Supervisor @Ldn_Ambulance. Software developer of sorts; CTO @CodidactQA. He/him. Opinions my own. 🏳️‍🌈

DavidPostill @PostillDavid

37 Followers 92 Following @[email protected]

Astronomy PhD candidate at @gwacwvu working on pulsars and gravitational wave detection with @NANOGrav/@IPTA_GW. Runner, avid reader, @astrobites alum. He/him.

Graham Doskoch @astroHDE

626 Followers 557 Following Astronomy PhD candidate at @gwacwvu working on pulsars and gravitational wave detection with @NANOGrav/@IPTA_GW. Runner, avid reader, @astrobites alum. He/him.

Gerwin de Groot @gerwindegroot

112 Followers 43 Following Waarschuwing: langdurig gebruik van Twitter kan de gezondheid negatief beïnvloeden.

A friendly programming environment for wave function methods in quantum chemistry developed at @LCPQ_UMR5626 and @LCT_UMR7616 #compchem

Quantum Package @quantum_package

934 Followers 696 Following A friendly programming environment for wave function methods in quantum chemistry developed at @LCPQ_UMR5626 and @LCT_UMR7616 #compchem

SCM @SCM_Amsterdam

2K Followers 2K Following Working on tough chemistry & materials R&D challenges? Try the Amsterdam Modeling Suite! https://t.co/jpvVz5ahiO

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250 Followers 420 Following Making software at @Medbridge to help patients live a healthy life. Previously @Outschool @Stackoverflow Go Gators!

Catija @iCatija

209 Followers 83 Following Baking, movies, reading, crafts. Former Stack Exchange Community Manager for 170+ sites. She/her.

Michiel van Setten @mjvansetten

385 Followers 275 Following Computational materials scientist - DFT, GW, and high throughput methods

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2K Followers 2K Following «Roses are Red // Violets are Blue // Unexpected '{' at line 42»

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Professor at Cambridge University, Fellow of St Edmund's College, Student of Everything Else. Tweeting in a personal capacity.

Stephen J Jenkins @JnknsSJ

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Love travel and science. Doing quantum, AI and HPC to solve science problems. Doing my small part building the next generation of scientists. Views are my own.

Bert de Jong @wa_de_jong

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Director General of the Norwegian Defence Research Establishment & prof. in theoretical chemistry UiT. Twitters largely about science and science policy.

Kenneth Ruud @KennethRuud

3K Followers 3K Following Director General of the Norwegian Defence Research Establishment & prof. in theoretical chemistry UiT. Twitters largely about science and science policy.

Learn more about the extraordinary research underway in the Division of Chemistry and Chemical Engineering at the California Institute of Technology @Caltech

Caltech Chemistry & C... @CaltechCCE

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The @UChicago Pritzker School of Molecular Engineering (PME) integrates science and engineering to address global challenges from the molecular level up.

UChicago Pritzker Sch... @UChicagoPME

4K Followers 936 Following The @UChicago Pritzker School of Molecular Engineering (PME) integrates science and engineering to address global challenges from the molecular level up.

Galli Group at U Chic... @GalliGroup

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Sijia Dong @sijia_dong

1K Followers 449 Following Assistant Professor @Northeastern in Computational/Theoretical Chemistry | BlueSky: @ https://t.co/VdhPzgzvdG

nAG @NAGTalk

2K Followers 2K Following Software, HPC and Technical Services. Renowned for the nAG Library, Automatic Differentiation, ML, HPC & Cloud HPC

Amanda Morris (she/her) - Professor of Chemistry at Virginia Tech - researching MOFs for artificial photosynthesis. The opinions shared here are solely my own.

ProfAMo @amorri28

4K Followers 1K Following Amanda Morris (she/her) - Professor of Chemistry at Virginia Tech - researching MOFs for artificial photosynthesis. The opinions shared here are solely my own.

Curating Magnetic Resonance news since 2011, no endorsements,
use #NMRchat New MR Chat !
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Magnetic Resonance Ne... @nmr900

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Springer journal Theoretical Chemistry Accounts. Hybrid Gold Open Access publishing model. Tweets about Journal content, projects, and chemical theory.

TheorChemAcc @TheorChemAcc

826 Followers 80 Following Springer journal Theoretical Chemistry Accounts. Hybrid Gold Open Access publishing model. Tweets about Journal content, projects, and chemical theory.

Célia Fonseca Guerra @CeliaFGuerra

1K Followers 275 Following Professor of Supramolecular Quantum Biochemistry. 🧬

Philipp Marquetand @marquetand

2K Followers 1K Following From theoretical chemistry to machine learning (he/him)

The González Theoretical Chemistry group at @univienna, quantum chemistry and chemical dynamics. Home of SHARC. Views my own! She/her/mother/wife/human.

The González Group @theo_chem

2K Followers 287 Following The González Theoretical Chemistry group at @univienna, quantum chemistry and chemical dynamics. Home of SHARC. Views my own! She/her/mother/wife/human.

Assistant Prof. @UniLeipzig & passionate runner | #LINO22 | PostDoc @compsurfchem @warwickuni | PhD @theo_chem @univienna | ML/DL, photochemistry | she/her

Julia Westermayr @JWestermayr

Assistant Professor @KU_Leuven.
@NWOFunding Rubicon & @EU_Commission MSCA laureate. (he/him)
#compchem | soft materials | organic electronics | #CG_Martini dev

Riccardo Alessandri �... @ricalessandri

348 Followers 615 Following Assistant Professor @KU_Leuven. @NWOFunding Rubicon & @EU_Commission MSCA laureate. (he/him) #compchem | soft materials | organic electronics | #CG_Martini dev

Prof. Andrea Armani @ProfArmani

12K Followers 6K Following Engineer and Physicist. These are my opinions on 🍫☕️🐱. Lab: @BiophotTeam

Travis Humble @travishumble

1K Followers 307 Following Quantum Science Center, Oak Ridge National Laboratory

Ace your test! We make apps to help #chemistry students and teachers. https://t.co/aDJczcy1sh Proudly run by #womenintech @alexandreamel

Terrapin Computing @terrapinco

1K Followers 85 Following Ace your test! We make apps to help #chemistry students and teachers. https://t.co/aDJczcy1sh Proudly run by #womenintech @alexandreamel

Andy Cooper @aicooper

10K Followers 786 Following Mostly science related. Also @aicooper.bsky.social

Professor of Chemical Modelling University of Southampton, Associate Editor for @ChemicalScience, co-director @TMCScdt, FRSC, he/him

Graeme Day @graeme_day

2K Followers 721 Following Professor of Chemical Modelling University of Southampton, Associate Editor for @ChemicalScience, co-director @TMCScdt, FRSC, he/him

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