James Kermode @jameskermode
Professor @WarwickEngineer, director of @WCPredMod and @HetSysCDT. Develop multiscale materials modelling methods and software. Views own. He/him warwick.ac.uk/jrkermode Coventry, England Joined May 2010-
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Very nice write up from @FaradayInst on Chantal’s journey so far: looking forward to seeing where she goes next in her research
Very nice write up from @FaradayInst on Chantal’s journey so far: looking forward to seeing where she goes next in her research
Great to be at the #MMM11 conference in Prague with 7 @HetSysCDT people, and to catch up with many more friends and colleagues from across the world. How many of the famous 100 spires can you count from the conference centre balcony?
Great to be at the GAP/(M)ACE Users and Developers Workshop in Berlin this week. Very nice talks from @HetSysCDT PhD students @FraserPerforms, Chantal Baer and Vincent Fletcher, and congratulations to Valdas Vitartas on winning one of the best poster prizes!
We have a 2-year postdoc position available in the group. Please share widely. The application deadline is September 24th. jobs.ac.uk/job/DJK803/res…
Many congratulations from me as well! It’s a shame not to be able to be there in person to celebrate with you.
Many congratulations from me as well! It’s a shame not to be able to be there in person to celebrate with you.
Happy to share details of a vacancy for an Assistant Professor in the Theory Group in the Department of Physics at Warwick. The role will have close links to the EPSRC @HetSysCDT that spans 7 departments at Warwick. Closing date: 22 Sept 2024 warwick-careers.tal.net/vx/appcentre-e…
Great to be a part of this, linking our ACEhamiltonians.jl package for ML in electronic structure with the DFTB+ code, as well as discussing the benefits of modular codes more broadly.
Last few PhD places available in @HetSysCDT for UK students for an Oct 24 start
Last few PhD places available in @HetSysCDT for UK students for an Oct 24 start
Very excited to be able to share the news that the @HetSysCDT has been renewed for a further 5 years! HetSys II will be led by me in @WarwickEngineer, @nickhine82 in @WarwickPhysics and @lbpartay in @warwickchem plus a team from 4 further depts and 46 external partners
Very excited to be able to share the news that the @HetSysCDT has been renewed for a further 5 years! HetSys II will be led by me in @WarwickEngineer, @nickhine82 in @WarwickPhysics and @lbpartay in @warwickchem plus a team from 4 further depts and 46 external partners
RTs please ! 📢 I have a fully funded #phdposition (UK students) at @ucl @tyc_london ➡️ ucl.ac.uk/condensed-matt… on phase behaviours of nanoscale materials. Interested in #Quantum, statistical mechanics, #ML and excited to team up with my collaborators @ChemCambridge ?
RTs please ! 📢 I have a fully funded #phdposition (UK students) at @ucl @tyc_london ➡️ ucl.ac.uk/condensed-matt… on phase behaviours of nanoscale materials. Interested in #Quantum, statistical mechanics, #ML and excited to team up with my collaborators @ChemCambridge ?
Great to see this write up of a fantastic initiative from @HetSysCDT students and others online! Well done @IdilIsmail20 et al.
Great to see this write up of a fantastic initiative from @HetSysCDT students and others online! Well done @IdilIsmail20 et al.
I’m writing new lecture course on Scientific Machine Learning for the @WCPredMod MSc in Predictive Modelling and Sci Comp. This is reading list so far - what am I missing? Also got .@francoisfleuret’s very nice Little Book of Deep Leaning, and Hastie et al’s ISL
I’m happy to share that I’m taking over as Director of the @HetSysCDT at Warwick from 1st Oct 2023. Thanks to Julie Staunton for leading HetSys so fantastically up to now; she will continue to take an active role in the management of the centre as Co-director
PhD funding available for UK Students. Interested in machine learning (ML) for molecular modelling? This PhD project aims to develop machine learning inter-atomic potentials (MLIPs) for molecular materials and organic-inorganic interfaces. Please RT 🤗 jobs.ac.uk/job/DBM614/phd…
Well done to all poster winners, including @FraserPerforms from @HetSysCDT, thanks to everyone for joining us in Warwick, and see you @fhi_mpg_de next year!
Well done to all poster winners, including @FraserPerforms from @HetSysCDT, thanks to everyone for joining us in Warwick, and see you @fhi_mpg_de next year!
PhD Scholarship: Integrating machine learning and multiscale modelling for simulating fracture in materials with uncertainties. 👉Start date: 2nd October 2023 or 8th January 2024 👉Fees & stipend of £18,622 per annum 👉Find out more: warwick.ac.uk/engpgr/ek

Machine Learning: Sci... @MLSTjournal
10K Followers 10K Following A multidisciplinary, #openaccess journal devoted to the application and development of #machinelearning for the sciences. Published by @IOPPublishing.
Michele Ceriotti @MicheleCeriotti
3K Followers 350 Following Italian in Switzerland, @lab_COSMO PI. Husband of one, father of three. Increasing the entropy of the universe since 1982.
COSMO Lab @lab_COSMO
4K Followers 465 Following Computational Science and Modelling of materials and molecules at the atomic-scale, with machine learning. Join us in the fediverse @[email protected]
Anatole von Lilienfel... @ProfvLilienfeld
6K Followers 5K Following FOLLOWS YOU Prof @UofTArtSci @UofTEngineering @researchuoft @acceleration_c @VectorInst; https://t.co/hCg3cdTftQ
Volker Deringer @vl_deringer
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HetSys CDT @HetSysCDT
180 Followers 70 Following The Centre for Doctoral Training in Modelling of Heterogeneous Systems (HetSys) is an @EPSRC supported CDT. Tweeting: @pbro48, @jameskermode & HetSys admin
CompSurfChem@Warwick @compsurfchem
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Laura Ratcliff @DrLauraRatcliff
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Reinhard Maurer @reinimau
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marcel ⊙ @marceldotsci
491 Followers 239 Following Trying to build better machine-learning surrogate models for DFT. Postdoc @lab_cosmo 👨🏻🚀.
Ricardo Grau-Crespo @rgraucrespo
3K Followers 3K Following Energy Materials, Disorder in Solids, Machine Learning. Assoc. Editor @JMaterChem A.
Warwick Physics @WarwickPhysics
753 Followers 269 Following Welcome to the official account of the Department of Physics @uniofwarwick
Ferran Brosa Planella @brosaplanella
956 Followers 1K Following ⚠️ Inactive account, follow me on LinkedIn. Applied mathematician. Assistant Professor at @warwickmaths. Maintainer @pybamm_. Co-Founder @ionworks_. He/him.
Fernanda Duarte @fjduarteg
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Venkat Kapil @venkatkapil24
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David Scanlon @scanlond81
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KOzhwan @Kozhwan_cinema
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Ouloupoow @Ouloupoow002
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Om Prakash @baizalla
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Gianluca Seaford @G_Seaford02
4 Followers 36 Following PhD student at the EPSRC CDT @HetSysCDT. Maths and Physics graduate from @uniofwarwick
Varnit Jain @Burgerpants018
2 Followers 111 Following Sheldon Copper thinks I am not smart (I am an engineer) PhD Student | EPSRC DAMC CDT @EPSRC | CMSE Group @aaronrfinney | University of Liverpool @LivUni
Tim Duignan @TimothyDuignan
6K Followers 2K Following Modelling and simulation using quantum chemistry, stat mech and neural network potentials #compchem #theochem Researcher at Orbital Materials
GENEX EU Project @genex_eu
777 Followers 7K Following #HorizonEU GENEX 🇪🇺 New end-to-end diGital framework for optimizEd maNufacturing and maintEnance of neXt generation aircraft composite structures
Myung Chul Kim @mckimmmmm
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Dr. Abhishek Khedkar @Absolute_abhi_
133 Followers 341 Following Traveling through space and time striving to be worthy of it. • human • theoretical chemist •
Kalyan R @kalyan_einstein
21 Followers 421 Following
YoshiUme @YoshiUmeno
12 Followers 37 Following Professor at the University of Tokyo (Institute of Industrial Science). MD, DFT, FEM simulation of solid materials. Speaks German a little.
France @KiaraMille18891
13 Followers 934 Following Booking launches part-time work from home, flexible time and location, daily salary 100-3000 euros Click the link to join: https://t.co/tQ5IIi7FYG
hananab @hananabsike
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Peter Haynes @peterdhaynes
897 Followers 200 Following Vice-Provost (Education & Student Experience) and Professor of Theory & Simulation of Materials at @imperialcollege
Louise Rosset @lamrosset
9 Followers 15 Following
Kemal Atalar @kematalar
41 Followers 129 Following Theoretical & Computational Physicist | Dabbling as a Quantum Chemist at @KingsCollegeLon; Previously at @ImpMaterials, @Cambridge_Uni & @WarwickPhysics
Michael Rutter @rutter_29793
0 Followers 7 Following
lavroffrob @lavroffrob
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Matthias Holzenkamp @MatthiasHolzen2
11 Followers 55 Following
Aoyang Chen @aoyangchen
363 Followers 5K Following MSc Student Biotechnology/Bioinformatics @WUR. Computational Biology Thesis. Strives for Predictive Toxicology & Drug Discovery with AI. My opinions are my own.
Vasile-Adrian Surdu @AdrianSurdu4
132 Followers 996 Following Associate Professor at Transilvania University of Brasov #education #research #materials science #ceramics #nanomaterials
Guilherme Vilhena @jg_vilhena
106 Followers 138 Following Physicist and PI of the #NanoTrib @icmm_csic. Nanoscience, Atomic Force Microscopy, Heat-Transport, Nanotribology, low dimensional materials.
Ganna (Anya) Gryn’o... @grynova_CCC
2K Followers 642 Following Associate Professor of Computational Chemistry, University of Birmingham
Sergey Pozdnyakov @spozdn
302 Followers 466 Following Postdoc @SchwallerGroup @EFFL | Geometric deep learning on 3D point clouds for atomistic modeling
Jordan Dorrell @StochasticChem
63 Followers 219 Following Postdoc in crystal structure prediction in the Day group at University of Southampton.
Maria khan @maria10559maria
369 Followers 7K Following Ambivert,optimistic, biochemist, humanistic, funlover,fitness freak,bibliophile, love to travel ..
Dr Marco Sacchi @drmarcosacchi
538 Followers 473 Following Associate Professor of Computational Chemistry. Research in 2D Materials, Hydrogen and Quantum Biology. Opinions are my own.
Zhaoyang Wang @zhaoyangwang_
773 Followers 7K Following CS PhD student at the University of Birmingham. Research interests: Automated Machine Learning (Bayesian optimization), Reinforcement Learning.
Lisa Harris @LisaHar8534123
59 Followers 648 Following
Carla Molteni @CarlaMolten
120 Followers 213 Following Professor of Physics at King's College London @KCL_Physics, co-Director Thomas Young Centre @tyc_london, President AISUK @aisuk_info
Viktor Zaverkin @ViktorZaverkin
233 Followers 319 Following Research Scientist @NECLabsEU | PhD in Theor. Chem. @GroupKaestner @SimTechStuttga2 @Uni_Stuttgart | ML/DL for Chem./Mater. Sci. | Also @ 🦋
Vyshnavi Vennelakanti @Vyshnavi_1812
137 Followers 172 Following Postdoctoral research associate (@EPrinceton) in Princeton MAE, completed PhD (@ChemistryMIT) in Prof. Kulik’s group (@KulikGroup, @MITChemE) at @MIT
Niklas Schmitz @niklasschmitz_
245 Followers 1K Following Mathematics for Materials Modelling @EPFL, prev CS @TUBerlin
Giacomo Melani ☮️ @giacomo_melani
945 Followers 2K Following Theoretical chemist from Livorno 🇮🇹 @eni. PhD @unipotsdam 🇩🇪. Formerly @GalliGroup 🇺🇸 @UZH_en 🇨🇭 and @cnriccom_social. AFSer in 🇦🇺
Markus Rauhalahti, Ph... @MRauhalahti
889 Followers 7K Following Applied metascience + human-computer interaction + digital chemistry. Independent researcher, prev computational chemistry/biophysics/*informatics @helsinkiuni
Kristof Bal @KristofMBal
103 Followers 95 Following Computational chemistry, molecular crystals, enhanced sampling and free energy methods. Fellow at Janssen R&D @JanssenBelgium @JNJNews
Yury Lysogorskiy @ylysogorskiy
34 Followers 165 Following @IcamsB, @ruhrunibochum MLIP - Atomic Cluster Expansion: PACE, GRACE
Grant Hill @Dr_GHill
2K Followers 965 Following Chemistry Lecturer at the University of Sheffield. My research is in the field of theoretical/computational chemistry. He/him.
Raj Pandya @raj_pandya93
488 Followers 309 Following Physicist, aspiring entrepreneur, explorer, food lover and sports enthusiast.
Ioan Magdau @MagdauIoan
165 Followers 142 Following Lecturer in Computational and Data-Driven Chemistry at Newcastle University
Unmesh|উন্ম�... @UchowUnmesh
484 Followers 5K Following Postdoc @okayama_uni , previously @NISER #coarse-graining #computationalbiophysics 🇯🇵🇮🇳
toa @tnosxr
372 Followers 4K Following symptom of a healthy mind: when you leave it by itself, it will play. the world is a museum of passion projects | CCRU
Autumn @orozcoautumn9
295 Followers 3K Following
Frank Noe @FrankNoeBerlin
12K Followers 547 Following Scientist, #MachineLearning and #AI for the Sciences (esp. Physics/Chemistry). Scuba Diver and Traveler.
Machine Learning: Sci... @MLSTjournal
10K Followers 10K Following A multidisciplinary, #openaccess journal devoted to the application and development of #machinelearning for the sciences. Published by @IOPPublishing.
Michele Ceriotti @MicheleCeriotti
3K Followers 350 Following Italian in Switzerland, @lab_COSMO PI. Husband of one, father of three. Increasing the entropy of the universe since 1982.
COSMO Lab @lab_COSMO
4K Followers 465 Following Computational Science and Modelling of materials and molecules at the atomic-scale, with machine learning. Join us in the fediverse @[email protected]
Anatole von Lilienfel... @ProfvLilienfeld
6K Followers 5K Following FOLLOWS YOU Prof @UofTArtSci @UofTEngineering @researchuoft @acceleration_c @VectorInst; https://t.co/hCg3cdTftQ
Volker Deringer @vl_deringer
3K Followers 2K Following Computational chemist, curious about the atomic-scale structure of materials & #MachineLearning for chemistry. Associate Professor @UniofOxford
HetSys CDT @HetSysCDT
180 Followers 70 Following The Centre for Doctoral Training in Modelling of Heterogeneous Systems (HetSys) is an @EPSRC supported CDT. Tweeting: @pbro48, @jameskermode & HetSys admin
CompSurfChem@Warwick @compsurfchem
747 Followers 527 Following computational surface science research group; dynamics at surfaces, photoelectrocatalysis, machine learning, PI: @reinimau; account run by team, @warwickchem
Andrew White 🐦�... @andrewwhite01
27K Followers 2K Following Head of Sci/cofounder @FutureHouseSF. Prof of chem eng @UofR (on sabbatical). Automating science with AI and robots in biology. Corvid enthusiast
Laura Ratcliff @DrLauraRatcliff
619 Followers 651 Following Lecturer @BristolChem. I develop and apply large scale DFT software for simulating materials. I also bake, sew, and watch too much tennis.
Jan Jensen (janhjense... @janhjensen
9K Followers 608 Following Computational chemist at the University of Copenhagen. PChem Editor-in-Chief @PeerJChemistry. #compchem
Reinhard Maurer @reinimau
2K Followers 1K Following Professor of #compchem/phys, University of Warwick Surface Science, nonadiabatic/quantum dynamics, ML/AI, PI of @compsurfchem @reinimau.bsky.social
marcel ⊙ @marceldotsci
491 Followers 239 Following Trying to build better machine-learning surrogate models for DFT. Postdoc @lab_cosmo 👨🏻🚀.
Warwick Physics @WarwickPhysics
753 Followers 269 Following Welcome to the official account of the Department of Physics @uniofwarwick
CECAM @cecamEvents
4K Followers 68 Following 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
Ferran Brosa Planella @brosaplanella
956 Followers 1K Following ⚠️ Inactive account, follow me on LinkedIn. Applied mathematician. Assistant Professor at @warwickmaths. Maintainer @pybamm_. Co-Founder @ionworks_. He/him.
Dr. Rose Cersonsky (s... @RosyCers
1K Followers 676 Following Asst. Prof. @UWMadCBE, PI for @LabOfScience. Advocate for mental health / open access / teachers. Spare time runner / climber / cat wrangler. 🏳️🌈
Venkat Kapil @venkatkapil24
888 Followers 305 Following Asst Prof in Computational Materials Science @ucl Physics Previously: Fellow @ChurchillCol, Oppenheimer Research Fellow @ChemCambridge & @IITKanpur Alumnus
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19K Followers 5K Following Prof. @UofT @VectorInst @CIFAR_News AI Chair & Fellow. C150 Chair. @acceleration_c @digital_discovery
ALASTAIR CAMPBELL @campbellclaret
1.1M Followers 9K Following Writer, communicator, consultant, strategist, mental health campaigner. Does podcast The Rest is Politics with ex Tory minister Rory Stewart.
UK Prime Minister @10DowningStreet
5.9M Followers 192 Following Official page for Prime Minister @Keir_Starmer’s office, based at 10 Downing Street.
Physical Sciences Dat... @PSDI_UK
239 Followers 92 Following Tweeting about the Physical Sciences Data Infrastructure funded by EPSRC.
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221K Followers 206 Following A view on politics at home & abroad, while bringing back the lost art of disagreeing agreeably with @RoryStewartUK & @CampbellClaret. Powered by @FuseEnergy ⚡
Ganna (Anya) Gryn’o... @grynova_CCC
2K Followers 642 Following Associate Professor of Computational Chemistry, University of Birmingham
Lukas Hörmann @LHphysics
10 Followers 11 Following
Pat Unwin @Patrick_Unwin
2K Followers 693 Following Electrochemistry, surfaces and nanoscience with music on the side #paparoro https://t.co/CNCcZ7sDvZ
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488 Followers 309 Following Physicist, aspiring entrepreneur, explorer, food lover and sports enthusiast.
University of Warwick @warwickuni
583 Followers 0 Following We've pushed boundaries and imagined the future for 50 years, and we've only just begun. Find us at @uniofwarwick.
Simon Prince @SimonPrinceAI
10K Followers 327 Following Professor of Computer Science, University of Bath
Patrick Kidger @PatrickKidger
11K Followers 213 Following I do SciML + open source! 🧪ML+proteins@ https://t.co/04dWAWzCyl 📚Neural ODEs: https://t.co/ODOKWjub5k 🤖JAX ecosystem: https://t.co/8kXzaG9XVf 🧑💻Prev. Google, Oxford
Adam Tranter @adamtranter
23K Followers 3K Following Urbanism + Active Travel. Founder @fusionmediasvs, co-host @podstreetsahead. Was Cycling & Walking Commissioner for @andy4wm. Views all mine. Substack in bio 👇
Johannes Wasmer @JohannesWasmer
224 Followers 553 Following @[email protected] • machine learning density functional theory • PhD student @fz_juelich • Fellow of @hds_lee graduate school. https://t.co/uh4N9agvDq
Andres Henao @andres_molsim
552 Followers 2K Following Bringing ML-AI into materials discovery / #compchem by heart previously #AvH fellow @upb and PhD @upc/ Diving into the #altac life
François Fleuret @francoisfleuret
45K Followers 487 Following Research Scientist @meta (FAIR), Prof. @Unige_en, co-founder @nc_shape. I like reality.
Joseph W. Abbott @jwasci
151 Followers 411 Following PhD student in ML for atomistic simulations @lab_COSMO @EPFL 🇨🇭 | Previously: @3dsBIOVIA @isisneutronmuon @BristolUni 🇬🇧 @UW 🇺🇸
Anas Siddiqui @anas_sid96
43 Followers 32 Following PhD student @HetSysCDT @uniofwarwick. Supervised by @nickhine82. Previous : @imperialcollege, @IITKanpur
davidad 🎇 @davidad
20K Followers 9K Following Programme Director @ARIA_research | accelerate mathematical modelling with AI and categorical systems theory » build safe transformative AI » cancel heat death
UniRdg Chemistry @UniRdg_Chem
1K Followers 321 Following News from the Chemistry Department at the University of Reading: research, teaching and more.
Lorenz Lab @lorenz_lab
540 Followers 288 Following Chris Lorenz's (@cdlorenz) research group in the Department of Engineering at King's College London. Transitioning to @lorenzlab1.bsky.social
Ioan Magdau @MagdauIoan
165 Followers 142 Following Lecturer in Computational and Data-Driven Chemistry at Newcastle University
Duarte Group @duarte_group
2K Followers 572 Following This is the student-run Twitter account of the Duarte group in Oxford, tweeting all things computational. Check out our chemistry resources below!
Benjamin Shi @benshi97
195 Followers 454 Following PhD Student in Materials Modelling / Computational Chemistry at @icegroupcam in @ChemCambridge
Christian Carbogno @carbogno_group
95 Followers 102 Following
Jad Jaafar @JadJ569
10 Followers 280 Following
Daniel Thomas du Toit @DFT_duToit
27 Followers 25 Following PhD student @VLDGroupOx, @OxfordChemistry. Investigating Chemistry with ML! Check out XPOT: https://t.co/3SCcDZNqId
Material Summit (GAMS... @Material_Summit
461 Followers 1K Following 3rd Global Summit on Advanced Materials For Energy Application (GAMSE25)
Yuxing Zhou @yux_Zhou
86 Followers 317 Following DPhil student in computational materials chemistry at @VLDGroupOx | @UniofOxford. Combine #MachineLearning and #DFT to study functional materials.
Yuanbin Liu @YuanbinLiu2
60 Followers 230 Following Postdoc researcher in @VLDGroupOx at @UniofOxford. Computational materials chemistry, machine learning, disordered materials. Previously @Tsinghua_Uni
Varga-Umbrich Eszter @vueszter
63 Followers 163 Following
livMatS @livMatS_UniFR
995 Followers 603 Following Living, Adaptive and Energy-autonomous Materials Systems #livMatS #ClusterofExcellence @UniFreiburg Imprint: https://t.co/3dhMutq5fd
Jacek Golebiowski @j_golebiowski
48 Followers 107 Following CTO at https://t.co/BzXb2jNvLA , fine tuning small language models with just a prompt. Formerly ML lead @amazon.
NCCR-MARVEL @nccr_marvel
2K Followers 430 Following NCCR-MARVEL is the Swiss centre on Computational Design and Discovery of Novel Materials funded by the Swiss National Science Foundation @snf_ch. @EPFL_en
bussilab @bussilab
2K Followers 12 Following Research group lead by @BussiGio at @SissaSchool | #RNA, #moleculardynamics, and more | https://t.co/BDCD1PfyEH
Parrinello Group @GroupParrinello
5K Followers 69 Following Prof. Michele Parrinello research group Molecular simulations at the interface of Physics, Chemistry & Biology IIT Genova @IITalk Account run by PhDs/postDocs
Hybrid Materials Inte... @hmi_group
159 Followers 111 Following Research Group at @UniBremen / Bremen Center for Computational Materials Science / Center for Environmental Research and Sustainable Technology
Taskmaster Education @TaskmasterEdu
8K Followers 203 Following Home to all things relating to @Taskmaster & education | Contact us: [email protected] | For #SchoolTasking, find us on IG, website below, or 🦋
Petite Cyclist @petitecycliste
33K Followers 255 Following Author & Cyclist The fun stuff - https://t.co/Xne3nSRurh
MaThRad @MaTh_Rad
35 Followers 36 Following Interdisciplinary research programme using mathematics to develop novel approaches to radiotherapy, nuclear engineering, and space technology
Guillaume Fraux @__luthaf__
403 Followers 360 Following Computational chemist at @lab_COSMO. Too many simulations running, too many OSS projects (@libchemfiles), too many instruments. Also @[email protected].