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Are you interested in working with us? We have two positions open! 📢Spread the word! 👨💻HPC Expert (Stockholm or Luleå) ri.se/sv/jobba-hos-o… 🧑💼Business Developer (Stockholm) ri.se/sv/jobba-hos-o…
[2312.12530] Rationale for the Extrapolation Procedure in Selected Configuration Interaction #compchem arxiv.org/abs/2312.12530
Congratulations to @DavideCianchino for defending his master thesis (woth honors) on the implementation of Cholesky Decomposition for a spin-free Dirac Coulomb relativistic hamiltonian! @MolecolabPisa
Can we improve at how we solve linear response equations? After a few decades from the seminal work of Olsen et al., and then Stratmann et al. for DFT, turns out that the answer is yes! @r_alessandro2 @fedepse @T_Nottoli doi.org/10.1021/acs.jc…
Very happy to announce our software VIAMD for Visual Interactive Analysis of #moleculardynamics in @JCIM_JCTC. pubs.acs.org/doi/10.1021/ac… #compchem. VIAMD is available on @github github.com/scanberg/viamd
[2311.05351] The $GW$ Approximation: A Quantum Chemistry Perspective #compchem arxiv.org/abs/2311.05351
A Quasi Time-reversible guess for Born-Oppenheimer MD that affords energy conservation and outperforms even our latest G-Ext? Check it out (Open Access) on J. Phys. Chem. Lett.! @fedepse @patrizia_mazzeo @ChemUniPi @JPhysChem #compchem doi.org/10.1021/acs.jp…
⌛️⏰ Only a few days left to apply! 🗓️ #PhDposition #compchem #photosynthesis
⌛️⏰ Only a few days left to apply! 🗓️ #PhDposition #compchem #photosynthesis
#compchem Good read: A fast, dense Chebyshev solver for electronic structure on GPUs doi.org/10.1063/5.0164…
The Beacon (Fyrtårn) project on STEM Education (en.uit.no/project/susste…) and @hylleraas will be hosting twin semipopular lectures on The Periodic Table by two leading experts on the subject on 13/9. The scientifically inclined community at @UiTNorgesarktis and beyond are…
Note also that the code and data are now released at @github github.com/DerkKooi/jaxsce and @ZENODO_ORG doi.org/10.5281/zenodo…
Note also that the code and data are now released at @github github.com/DerkKooi/jaxsce and @ZENODO_ORG doi.org/10.5281/zenodo…
New, 2023 version of the MRCC #compchem package is released today at mrcc.hu open-source for academic use! Thanks for the developer team for the great contributions! (If interested, you can join us for a PhD or postdoc here: fkt.bme.hu/~theoreticalch…)
If you are looking for a master program 💥 where you study about cutting edge #HPC technologies, 📜 with a double degree from two of the best universities in Europe, 🏢 where you network with industry and academic professionals, then apply at the EUMaster4HPC!👇
If you are looking for a master program 💥 where you study about cutting edge #HPC technologies, 📜 with a double degree from two of the best universities in Europe, 🏢 where you network with industry and academic professionals, then apply at the EUMaster4HPC!👇
Ab initio quantum chemistry with neural-network wavefunctions nature.com/articles/s4157… A review by @jhrmnn, @exp_n, K. Choo, @A_Mezzacapo, W.M.C. Foulkes, @pfau, @gppcarleo & @FrankNoeBerlin from @FU_Berlin, @UZH_en, @imperialcollege, @EPFL_en, @RiceUniversity
LA SINDROME DI ... "COCOMERO"(!?). Campagna "promozionale" del Ministero dell'Agricoltura, della Sovranità alimentare e delle Foreste.... (Nella foto meme da tempo circolante in rete). Alle 20.00 nuova puntata di #blob....
[2308.01664] Reduced Scaling Real-Time Coupled Cluster Theory #compchem arxiv.org/abs/2308.01664
A robust, open-source implementation of LOBPCG for large eigenvalue problems in quantum chemistry: check out our new #openaccess paper! @T_Nottoli @Fil_Lipparini #compchem link.springer.com/article/10.100…
Carina questa scena della Pimpa che chiede a un liberale italico quale sia la soluzione al cambiamento climatico.
Final announcement. Deadline in under a week.
Final announcement. Deadline in under a week.

Jean-Philip Piquemal @jppiquem
7K Followers 2K Following Professor of Theoretical Chemistry @ Sorbonne Université & Director @ LCT (UMR 7616 CNRS)| CSO & co-founder @qubit_pharma| FRSC (Views are mine) #compchem
Pierre-Francois Loos @TitouLoos
2K Followers 2K Following Theoretical chemist @CNRS @LCPQ_UMR5626 interested in excited states and developing @quantum_package #compchem #ercCoG
Janus Juul Eriksen @JanusEriksen
887 Followers 456 Following Assoc. prof. in #compchem @DTUtweet (🇩🇰) -- Previously: @BristolUni (🇬🇧) & @uni_mainz_eng (🇩🇪). Member of @DetUngeAkademi (🇩🇰, 2022-27).
Paola Gori-Giorgi @paolagorigiorgi
2K Followers 771 Following electrons | lover of DFT | Microsoft Research & professor of theoretical and mathematical chemistry (VU Amsterdam) | views my own |EN/NL/IT/FR (also mix)
Stefan Knecht @kinnhaenger
354 Followers 307 Following
Erik Donovan Hedegår... @erikdonhed
272 Followers 110 Following Quantum chemist at University of Southern Denmark. #compchem
Piotr Piecuch @PiecuchPiotr
3K Followers 2K Following Univ. Dist. Prof. & MSU Foundation Prof. at Michigan State University, quantum chemistry and physics, proud husband and dad (started tweeting in late Dec. 2019)
DePrince Group @DePrinceFSU
757 Followers 226 Following
Christoph Jacob @chjacob
1K Followers 621 Following Professor for Theoretical Chemistry, Vice-Dean of the Faculty of Life Sciences @tuBraunschweig. Profile Pic: A. Bormann / TU BS
Miranda Quintana Grou... @GroupQuintana
4K Followers 2K Following RamO(N) Miranda-Quintana group @UF Theoretical and Computational chemistry.
Alan Aspuru-Guzik @A_Aspuru_Guzik
19K Followers 5K Following Prof. @UofT @VectorInst @CIFAR_News AI Chair & Fellow. C150 Chair. @acceleration_c @digital_discovery
Jan Unsleber @Nabbelbabbel
507 Followers 289 Following Researcher and Software Engineer (Theoretical Chemistry, #CompChem). Currently: @MSFTQuantum🇩🇰. Formerly: Post-Doc @ETH 🇨🇭, PhD @uni_muenster 🇩🇪.
Filippo Lipparini @Fil_Lipparini
449 Followers 191 Following Love ranting about stuff, especially FORTRAN stuff.
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.
Luca Frediani 🇺�... @Luca__Frediani
330 Followers 212 Following Theoretical chemist, father of two, love mountains and open sea
Derk Kooi @DerkKooi
648 Followers 1K Following Senior Researcher @ Microsoft Research Bestuurslid @kwakzalverij.nl Lost quantum chemist Views are my own and do not necessarily reflect those of my employer!
Abril C. Castro @Abril_C_Castro
567 Followers 837 Following PI at @hylleraas, Young Talent grantee @forskningsradet, Marie-Curie alumni @MSCActions, #compchem 🇲🇽🇳🇴
Tommaso Giovannini @giovannini_t
527 Followers 659 Following Assistant Professor (Tenure Track) @fisicaunitov. Previously researcher @scuolanormale. PostDoc @NTNU. PhD @scuolanormale. #sommelier @FISARNazionale
Sigbjørn Løland Bor... @SigbjornBore
266 Followers 407 Following PostDoc at Hylleraas Centre for Quantum Molecular Sciences at the University of Oslo. Young CAS Fellow at Center for Advanced Study 2023-25.
SCM @SCM_Amsterdam
2K Followers 2K Following Working on tough chemistry & materials R&D challenges? Try the Amsterdam Modeling Suite! https://t.co/jpvVz5ahiO
Uquiruhu @Uquiruhu2775
30 Followers 3K Following
Sandra Farrell @sandra_far93413
89 Followers 4K Following
Ivan Giannì @Ivan46620408
5 Followers 15 Following Computational Chemistry. Multi-reference systems. " CASSCF in an art " - Everyone who has ever done CASSCF
Mariner @akedoyurik461
74 Followers 7K Following
Thomasina @I609BQFoK5585R
72 Followers 7K Following
Chris0_akn @Chris0090722112
243 Followers 2K Following I know that we treated each one of you just as a father treats his own children. Never will I stop trading⏰ https://t.co/T8UKh8iAuf
DeltaSferrazza @DeltaSferr35566
36 Followers 1K Following
Computational Catalys... @CenterCatalysis
2K Followers 4K Following Founder: Dr. Puneet Gupta (Associate Professor, Chemistry Department , IIT Roorkee)
Samiran @sen_samiran_
8 Followers 47 Following Postdoctoral researcher at Institut Pasteur/CNRS, Paris ◌ AI ◌ Protein structure ◌ Molecular dynamics ◌ Software developer ◌ Pianist ◌ Passionate writer
Phung Cheng Fei @salmon_shitake
422 Followers 8K Following
Mathieu Linares ⏚ @matmirulimarrj
706 Followers 1K Following Application Expert at PDC @KTH. Working on the interoperability of #compchem tools: #GROMACS #VeloxChem #VIAMD
Faheem Abbas @Faheemmagsi110
54 Followers 390 Following PhD: TSINGHUA University. Major Computational Chemistry expertise in Catalysis (HER/OER/ORR) via DFT. I have 4 years Pharmaceutical experience in wet/ dry lab.
Lucas Lang @LLangResearch
44 Followers 63 Following Junior research group leader at @TUBerlin. Enthusiastic about applying quantum mechanics to solve chemical problems.
Adedapo Adeyinka @mixedcrown
449 Followers 1K Following Scientist. Lecturer in Chemistry @UJ Johannesburg. Computational Chemist.
Davide Cianchino @DavideCianchino
80 Followers 163 Following Lost in a Fock space trying to understand theoretical chemistry. From Sicily to Bologna, then from Pisa to Saarbrücken. PhD student in the Stopkowicz group.
Markus Rauhalahti, Ph... @MRauhalahti
890 Followers 7K Following Applied metascience + human-computer interaction + digital chemistry. Independent researcher, prev computational chemistry/biophysics/*informatics @helsinkiuni
Lila CT @ct_lila
97 Followers 151 Following Quantum Computing for Chemistry - University of Cambridge
Zoltán Zimborás @ZoltanZimboras
921 Followers 742 Following Wigner's friend. Coincidentally also the Head of the Quantum Computing Group at Wigner RCP. Occasionally hired for the indirect observation of measurements.
David Picconi @DavidPicconi
59 Followers 82 Following Researcher of theoretical and computational chemistry @univgroningen 💡⚛️👨💻 🏐🏃♂️🍕
Aksel Alpay @illuhad
480 Followers 163 Following Working at @UniHeidelberg. I do AdaptiveCpp and HPC. Making things go fast! @illuhad.bsky.social
Werner Dobrautz @dobrautz
309 Followers 744 Following @dobrautz.bsky.social DRESDEN-concept Research Group Leader at CASUS / HZDR and https://t.co/Ob3LGxIB4P / TU Dresden
ICQC2023 @icqc2023
1K Followers 3K Following The International Congress of Quantum Chemistry (ICQC) is held triennially under the patronage of the International Academy of Quantum Molecular Science.
Matteo A. C. Rossi @matteo_ac_rossi
127 Followers 110 Following CTO and co-founder @ Algorithmiq https://t.co/19gsW86wmS | Quantum researcher @ Aalto
Francesco Tacchino @quantum_of_me
443 Followers 448 Following Physics and computing, the quantum way
MolMD Group @molmd_group
325 Followers 720 Following We study the physics and chemistry of materials in energy storage devices and electrocatalysis using atomistic computational methods | PI: @Rajput_NavNidhi
johnparkhill @j0hnparkhill
868 Followers 1K Following ML, director of machine learning Terray Therapeutics (https://t.co/bYIaeNnkG3). Father. NSF CAREER award giver-upper. Gibe and gambol enjoyer.
kitturg @kitturg1
87 Followers 425 Following Tech Professional; Freelance Writer; Travel Enthusiast; and 'Living life like there's no tomorrow!'
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
Dario Calvani @DarioCalvani
230 Followers 622 Following PostDoc Researcher @HZDR_Dresden @CASUSscience - Guest at @UniLeiden @penn_state - Computational Chemist in 2D Materials, Energy&Sustainability
Daniel (다니엘) @danielquantum
82 Followers 162 Following Lakukanlah bagianmu dgn setia, dan lihatlah Tuhan akan melakukan bagianNya dgn sempurna.
Tommaso Nottoli @T_Nottoli
45 Followers 97 Following PhD student • Theoretical chemistry • @MolecolabPisa
Sonata Kvedaravičiū... @sonatakved
162 Followers 230 Following #CompChem Phd Student at @ChemistryDTU. Alum. of @EM_TCCM at @UAM_MADRID and @VU_LT. Lithuanian 🇱🇹
Marina Jansen @mrnr_jansen
90 Followers 169 Following PhD student at @UniHannover in @Koenig_Group and STEMinist (she/her) #compchem Views are my own.
KoenigGroup @Koenig_Group
116 Followers 66 Following Research group @UniHannover in #compchem. https://t.co/kTKl8bnIWr
Davide Accomasso @David_Accomasso
26 Followers 42 Following
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.
Nathalie Reuter @reuter_nathalie
1K Followers 856 Following Prof at U. of Bergen. Molecular modelling and protein bioinformatics. Membrane proteins are my favorites. Mother of two girls. @UiB @CBU_Bergen
Codeplay Software @codeplaysoft
2K Followers 212 Following Since 2002, Codeplay has been committed to defining open standards and supporting open ecosystems for accelerated computing.
Rubén Laplaza @ruben_laplaza
1K Followers 2K Following machine learning, catalysis and quantum chemistry - (incoming) research professor at @IIQ_US_CSIC @cicCartuja @CSIC - curious about most things
Computation MDPI @ComputationMDPI
1K Followers 2K Following Computation (ISSN 2079-3197) is an #openaccess journal of computational biology, chemistry, and engineering; covered by #WoS and #Scopus. #mdpicomputation
Taye B. Demissie @DrTayeD
529 Followers 226 Following Associate Professor of Physical/Compt'nal Chemistry. *RTs & likes≠my opinions. ➽ Your value does not decrease based upon someone's inability to see your worth.
Software Dev Tools @IntelDevTools
23K Followers 1K Following @Intel’s hub for all things #oneAPI — an open source model for #developers looking to accelerate and optimize heterogeneous workloads across architectures.
Nanna H. List @ListNanna
344 Followers 300 Following Assistant professor and theoretical chemist @KTHuniversity and @UoBChemistry | Postdoc from @mtzlab/@Stanford/@SLACLab Loves light and molecules.
Ryan Wilkins @WilkinsRyanS
34 Followers 77 Following #CompChem PhD student with @hylleraas @UiTNorgesarktis studying how enzymes are able to adapt to extreme environments. Canadian in Norway. I brew beer.
Jean-Philip Piquemal @jppiquem
7K Followers 2K Following Professor of Theoretical Chemistry @ Sorbonne Université & Director @ LCT (UMR 7616 CNRS)| CSO & co-founder @qubit_pharma| FRSC (Views are mine) #compchem
Pierre-Francois Loos @TitouLoos
2K Followers 2K Following Theoretical chemist @CNRS @LCPQ_UMR5626 interested in excited states and developing @quantum_package #compchem #ercCoG
Janus Juul Eriksen @JanusEriksen
887 Followers 456 Following Assoc. prof. in #compchem @DTUtweet (🇩🇰) -- Previously: @BristolUni (🇬🇧) & @uni_mainz_eng (🇩🇪). Member of @DetUngeAkademi (🇩🇰, 2022-27).
Paola Gori-Giorgi @paolagorigiorgi
2K Followers 771 Following electrons | lover of DFT | Microsoft Research & professor of theoretical and mathematical chemistry (VU Amsterdam) | views my own |EN/NL/IT/FR (also mix)
Stefan Knecht @kinnhaenger
354 Followers 307 Following
Erik Donovan Hedegår... @erikdonhed
272 Followers 110 Following Quantum chemist at University of Southern Denmark. #compchem
Piotr Piecuch @PiecuchPiotr
3K Followers 2K Following Univ. Dist. Prof. & MSU Foundation Prof. at Michigan State University, quantum chemistry and physics, proud husband and dad (started tweeting in late Dec. 2019)
DePrince Group @DePrinceFSU
757 Followers 226 Following
Christoph Jacob @chjacob
1K Followers 621 Following Professor for Theoretical Chemistry, Vice-Dean of the Faculty of Life Sciences @tuBraunschweig. Profile Pic: A. Bormann / TU BS
Alan Aspuru-Guzik @A_Aspuru_Guzik
19K Followers 5K Following Prof. @UofT @VectorInst @CIFAR_News AI Chair & Fellow. C150 Chair. @acceleration_c @digital_discovery
Jan Unsleber @Nabbelbabbel
507 Followers 289 Following Researcher and Software Engineer (Theoretical Chemistry, #CompChem). Currently: @MSFTQuantum🇩🇰. Formerly: Post-Doc @ETH 🇨🇭, PhD @uni_muenster 🇩🇪.
Filippo Lipparini @Fil_Lipparini
449 Followers 191 Following Love ranting about stuff, especially FORTRAN stuff.
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.
Algorithmiq Ltd @AlgorithmiqLtd
308 Followers 32 Following We develop advanced quantum algorithms to solve complex problems in life sciences.
Hylleraas Centre for ... @hylleraas
547 Followers 28 Following Norwegian Centre of Excellence. We develop and apply methods to simulate complex molecular systems interacting with fields and radiation.
Luca Frediani 🇺�... @Luca__Frediani
330 Followers 212 Following Theoretical chemist, father of two, love mountains and open sea
Derk Kooi @DerkKooi
648 Followers 1K Following Senior Researcher @ Microsoft Research Bestuurslid @kwakzalverij.nl Lost quantum chemist Views are my own and do not necessarily reflect those of my employer!
Lars Goerigk @lgoer_compchem
3K Followers 1K Following Associate Professor, @ChemistryUoM @scimelb @unimelb; Associate Editor @PCCP #theochem #compchem #ozchem (views are my own) (he/him)
Abril C. Castro @Abril_C_Castro
567 Followers 837 Following PI at @hylleraas, Young Talent grantee @forskningsradet, Marie-Curie alumni @MSCActions, #compchem 🇲🇽🇳🇴
the Kulik Group @KulikGroup
4K Followers 386 Following Inorganic Design, Computational Chemistry, Machine Learning, and Enzyme Catalysis Research Group in Chemical Engineering at MIT. Led by Prof. Heather J. Kulik
Mathieu Linares ⏚ @matmirulimarrj
706 Followers 1K Following Application Expert at PDC @KTH. Working on the interoperability of #compchem tools: #GROMACS #VeloxChem #VIAMD
Lorenzo D'Agostino @lorenzodago
11K Followers 3K Following giornalista indipendente - journalist covering the war on migrants. Digital beggar on https://t.co/J5oRUhEBZP // TikToker on https://t.co/VZ2oM31enR
\mathfrak{Michael "Sh... @betanalpha
11K Followers 253 Following Once and future physicist masquerading as a statistician. Reluctant geometer. @mcmc_stan developer. Support my writing at https://t.co/Ut25MyjIAy. He/him.
Francesco Evangelista @quantofrancesco
101 Followers 7 Following
Simon's Cat 🐾 @SimonsCat
467K Followers 512 Following Official Account! 👋 A hangry but lovable 🐱 Animation ✏️ by Simon Tofield. $CAT Web3: @SimonsCatMeme
Anthony Sottile @codewithanthony
6K Followers 297 Following
Markus Rauhalahti, Ph... @MRauhalahti
890 Followers 7K Following Applied metascience + human-computer interaction + digital chemistry. Independent researcher, prev computational chemistry/biophysics/*informatics @helsinkiuni
Lila CT @ct_lila
97 Followers 151 Following Quantum Computing for Chemistry - University of Cambridge
Tommaso Nottoli @T_Nottoli
45 Followers 97 Following PhD student • Theoretical chemistry • @MolecolabPisa
Zoltán Zimborás @ZoltanZimboras
921 Followers 742 Following Wigner's friend. Coincidentally also the Head of the Quantum Computing Group at Wigner RCP. Occasionally hired for the indirect observation of measurements.
Emery Berger @emeryberger
5K Followers 5K Following No longer posting here. @emeryberger.bsky.social, Threads: @emeryberger, Mastodon: @[email protected]
David Picconi @DavidPicconi
59 Followers 82 Following Researcher of theoretical and computational chemistry @univgroningen 💡⚛️👨💻 🏐🏃♂️🍕
Werner Dobrautz @dobrautz
309 Followers 744 Following @dobrautz.bsky.social DRESDEN-concept Research Group Leader at CASUS / HZDR and https://t.co/Ob3LGxIB4P / TU Dresden
Charlie Marsh @charliermarsh
28K Followers 830 Following Building @astral_sh: Ruff, uv, and other high-performance Python tools. Prev: Staff engineer @SpringDiscovery, @KhanAcademy, BSE @PrincetonCS.
ICQC2023 @icqc2023
1K Followers 3K Following The International Congress of Quantum Chemistry (ICQC) is held triennially under the patronage of the International Academy of Quantum Molecular Science.
Francesco Tacchino @quantum_of_me
443 Followers 448 Following Physics and computing, the quantum way
johnparkhill @j0hnparkhill
868 Followers 1K Following ML, director of machine learning Terray Therapeutics (https://t.co/bYIaeNnkG3). Father. NSF CAREER award giver-upper. Gibe and gambol enjoyer.
Ultimora.net - POLITI... @ultimora_pol
128K Followers 76 Following La politica raccontata da https://t.co/iYDWk6tCo8 - anche su Telegram su https://t.co/3JalzcTzNI E-MAIL: [email protected] 📧
Daniel (다니엘) @danielquantum
82 Followers 162 Following Lakukanlah bagianmu dgn setia, dan lihatlah Tuhan akan melakukan bagianNya dgn sempurna.
JOSS @JOSS_TheOJ
7K Followers 79 Following Journal of Open Source Software. The developer friendly software journal. We don't automatically publish papers here anymore because Twitter killed the free API
Sonata Kvedaravičiū... @sonatakved
162 Followers 230 Following #CompChem Phd Student at @ChemistryDTU. Alum. of @EM_TCCM at @UAM_MADRID and @VU_LT. Lithuanian 🇱🇹
KoenigGroup @Koenig_Group
116 Followers 66 Following Research group @UniHannover in #compchem. https://t.co/kTKl8bnIWr
Marina Jansen @mrnr_jansen
90 Followers 169 Following PhD student at @UniHannover in @Koenig_Group and STEMinist (she/her) #compchem Views are my own.
Ferdinando Cotugno @FerdinandoC
14K Followers 3K Following Giornalista. Curo Areale, una newsletter sul clima. Parlo in Ecotoni, un podcast sui boschi. Ho scritto Primavera ambientale, un libro sull'attivismo.
Nathalie Reuter @reuter_nathalie
1K Followers 856 Following Prof at U. of Bergen. Molecular modelling and protein bioinformatics. Membrane proteins are my favorites. Mother of two girls. @UiB @CBU_Bergen
Possibile @PossibileIt
62K Followers 2K Following #Possibile (=) profilo ufficiale. L’uguaglianza come motore, la diversità come innovazione, l'alternativa per costruire insieme la nostra proposta politica.
Thunderbird: Free You... @mozthunderbird
30K Followers 298 Following FREE YOUR INBOX! Thunderbird is your all-in-one communications command center that puts YOU in control.
Taye B. Demissie @DrTayeD
529 Followers 226 Following Associate Professor of Physical/Compt'nal Chemistry. *RTs & likes≠my opinions. ➽ Your value does not decrease based upon someone's inability to see your worth.
Nanna H. List @ListNanna
344 Followers 300 Following Assistant professor and theoretical chemist @KTHuniversity and @UoBChemistry | Postdoc from @mtzlab/@Stanford/@SLACLab Loves light and molecules.
ReFrame @ReFrameHPC
126 Followers 42 Following A regression testing framework for writing portable tests for HPC systems. https://t.co/1fiIXP70DI https://t.co/LiR9pL9Ysr
Flox @floxdevelopment
1K Followers 78 Following Flox offers developers, platform engineers, and operators reproducible environments that span the enterprise SDLC.
Ryan Wilkins @WilkinsRyanS
34 Followers 77 Following #CompChem PhD student with @hylleraas @UiTNorgesarktis studying how enzymes are able to adapt to extreme environments. Canadian in Norway. I brew beer.
Gabriel Gerez @Gabriel_Gerez_S
45 Followers 55 Following #CompChem PhD student at @hylleraas @UiTNorgesarktis working with #PCM in multiwavelets and #TD-DFT response theory. I have cats.
Suhita Basumallick @SuhitaBasu
646 Followers 1K Following Theoretical Computational Chemist | Postdoctoral Researcher @MSU | Specially Appointed Professor @Kobe University |
glenn morello @Inorglennistry
67 Followers 142 Following Inorganic professor at SUNY Plattsburgh. I wake up too early, I go to bed too late. I’m a comp chemist in between. Only one sip of coffee in my entire life.
Agustín Aucar @agusaucar
10 Followers 34 Following
Numtide @Numtide
649 Followers 19 Following A #Nix and #DevOps consulting company. We help our customers with declarative development, cloud and bare-metal infrastructures.
Rod Burns @rodburns
849 Followers 680 Following Works at Codeplay. Open standards programming advocate. Chair for the UXL Foundation Steering Committee. https://t.co/Bhj1EobVFH
Mark Harris @harrism
4K Followers 169 Following Software Engineer at NVIDIA. Views expressed are my own, not necessarily NVIDIA's. Software leader; developer; miller; builder; brewer; verber.
Kamil Galeev @kamilkazani
313K Followers 626 Following