Modeling Matters! @StackMatter

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

@Andrew_S_Rosen Sounds a bit like MMSE, and the *publicly* peer-reviewed, mini-publications, perpetual edit capabilities, and moderated comments like this one by @janhjensen: mattermodeling.stackexchange.com/a/361/5

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Modeling Matters! @StackMatter

6 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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Modeling Matters! @StackMatter

5 years ago

@laura_mckemmish Did you get an answer yet? Why don't you ask at Matter Modeling Stack Exchange and use the "software-recommendations" and "python" tags? There's more than 2000 members there. mattermodeling.stackexchange.com/questions/tagg…

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Andrew S. Rosen @Andrew_S_Rosen

6 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

6 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

6 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

6 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

6 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

6 years ago

Advice for any early-career academics!

Academia SE @StackAcademia

6 years ago

My affiliation after I moved to another institution for Ph.D academia.stackexchange.com/q/158871?atw=1 #phd

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Modeling Matters! @StackMatter

6 years ago

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

Chinese SE @StackChinese

6 years ago

Is there a word for Chinese songs that rhyme like Jay Chou's 迷迭香 and JJ Lin's 伟大的渺小? chinese.stackexchange.com/q/41578?atw=1 #word

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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

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Directors fellow at Alamos National lab| SEAS Postdoctoral fellow @harvard|
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Raagya Arora @AroraRaagya

2K Followers 2K Following Directors fellow at Alamos National lab| SEAS Postdoctoral fellow @harvard| PhD at @jncasr | Computational Physics | Modeling and Simulations

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

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4K Followers 113 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 299 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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91 Followers 917 Following PhD Student in Integrative structural biology on RNA-binding proteins | https://t.co/hFfnj56FjT

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

Alp Güven @panoptikon2023

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Dr. Tapas Sahoo @TapasSahoo4

11 Followers 133 Following Temporary Faculty in the Department of Chemistry, NIT Raipur

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

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228 Followers 582 Following @[email protected] • machine learning density functional theory • PhD student @fz_juelich • Fellow of @hds_lee graduate school. https://t.co/uh4N9agvDq

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20 Followers 477 Following Materials, computers and philosophy

Roshan Shrestha @roshan_shrestha

637 Followers 3K Following PhD student in Computational Biophysics at MMSB, CNRS - Lyon

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114 Followers 170 Following Master's in Intelligent systems | Computational Chemistry | Python | Chess enthusiast | Optimistic Realist

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0 Followers 155 Following

NumberCruncher @AbhijeetJK

136 Followers 1K Following C-137 planet Earth🌍 resident. Shadow batsman 🏏. RTs and Likes are not endorsements.

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267 Followers 104 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

54 Followers 346 Following Postdoctoral researcher @ Kyushu University

David G. Mikolas @dgmikolas

0 Followers 25 Following

shakil @shakil1905

13 Followers 595 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

85 Followers 182 Following 🇮🇹 Univ. Ass. researcher in Quantum Materials Physics @univienna 🇦🇹

Mbarek OUSSOUS @OussousMbarek

0 Followers 58 Following

Diego Mendoza @diegomdfer20

199 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

307 Followers 341 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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310 Followers 2K Following loving mother, #cat mom #flowers grower 🥰🌸 here for lasting friendship, #single mom

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62 Followers 484 Following PhD Scholar at IISER Bhopal

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

358 Followers 257 Following Associate 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.

Exxact Corporation @Exxactcorp

9K Followers 567 Following Exxact powers the world's greatest advancements with HPC and AI infrastructures that accelerate innovation and solve complex problems.

Sheraz ⚛️🐍 @sherazk_awan

58 Followers 234 Following Figuring out the secrets of Nature, Physicst, Machine Learning Maniac, NUST.

Thomas Mathew @PhysicsMathew

25 Followers 92 Following Assistant Professor in Physics. Interested in Computational Condensed Matter Physics

Adrian German @rctmpx

3K Followers 4K Following Person.

Lucas Rodrigues da Si... @Luc4s_R0drigues

260 Followers 485 Following PhD student in Chemistry at the University of São Paulo (USP)

Ania Wronski @AniaWronski

123 Followers 405 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_

72 Followers 254 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 57 Following

Mohammad R. Vaziriser... @MVazirisereshk

124 Followers 284 Following Product Engineer at Lam Research

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 525 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

55K Followers 777 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 113 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 299 Following Theoretical chemistry group @UCB_Chemistry, working in the areas of quantum dynamics and nonequilibrium statistical mechanics https://t.co/pqpnFjY6kn

Mona Jalal @ cvpr2025 @MonaJalal_

3K Followers 352 Following Senior Computer Vision Research Engineer at Toyota Material Handling #ComputerVision #DeepLearning #genAI

🐦🔫 - 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 456 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

82 Followers 157 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

25 Followers 92 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

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

Brian Ferrari @Cavenfish

28 Followers 86 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

Vitor Paschoal @not_pascal

179 Followers 717 Following Assistant professor of physics @ UFABC(🇧🇷). Formerly: nanotrap group at WUST(🇵🇱)LEM/IQ-USP(🇧🇷). Spectroscopy and simulation.

Meilani Wibowo @wibowo_meilani

54 Followers 131 Following Research Fellow in the School of Chemistry, University of Nottingham

Thomas Mathew @tm1729

35 Followers 206 Following

An3 @An3RoN

1 Followers 75 Following iop

Jan Jensen (janhjense... @janhjensen

9K Followers 598 Following Computational chemist at the University of Copenhagen. PChem Editor-in-Chief @PeerJChemistry. #compchem

MolSSI @MolSSI_NSF

5K Followers 80 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

249 Followers 390 Following Emergency Call Handling Supervisor @Ldn_Ambulance. Software developer of sorts; CTO @CodidactQA. He/him. Opinions my own. 🏳️‍🌈

DavidPostill @PostillDavid

35 Followers 90 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

604 Followers 554 Following Astronomy PhD candidate at @gwacwvu working on pulsars and gravitational wave detection with @NANOGrav/@IPTA_GW. Runner, avid reader, @astrobites alum. He/him.

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113 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

918 Followers 677 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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210 Followers 469 Following Making software at @Medbridge to help patients live a healthy life. Previously @Outschool @Stackoverflow Go Gators!

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378 Followers 269 Following Computational materials scientist - DFT, GW, and high throughput methods

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412 Followers 221 Following

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Stephen J Jenkins @JnknsSJ

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598 Followers 262 Following 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.

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

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Caltech Chemistry & C... @CaltechCCE

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Software, HPC/AI and Technical Services. Renowned for the nAG Library, Compiler, HPC/AI & Cloud HPC, Automatic Differentiation, ML

nAG @NAGTalk

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

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Magnetic Resonance Ne... @nmr900

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807 Followers 77 Following Springer journal Theoretical Chemistry Accounts. Hybrid Gold Open Access publishing model. Tweets about Journal content, projects, and chemical theory.

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1K Followers 271 Following Professor of Supramolecular Quantum Biochemistry. 🧬

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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.

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2K Followers 281 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

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Assistant Professor @KU_Leuven.
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1K Followers 305 Following Quantum Science Center, Oak Ridge National Laboratory

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

Graeme Day @graeme_day

2K Followers 705 Following Professor of Chemical Modelling University of Southampton, Associate Editor for @ChemicalScience, co-director @TMCScdt, FRSC, he/him