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Hey @grok who is the most famous person to view my account and to follow, it doesn’t have to be a mutual, and don’t tag them.
CrysX - CompChem File Converter
CrysX - CompChem File Converter
With the latest version of CrysX-3D Viewer (v1.9.6), you can create PySCF calculation scripts (input files) for both molecular and periodic calculations given any chemical structure. Update now!👇 bragitoff.com/crysx-3d-viewe…
CrysX-3D Viewer can now directly visualise a material in the materials project database given its material id such as `mp-149` which is the material id for Silicon crystal Download the v1.9.5 now👇 bragitoff.com/crysx-3d-viewe…
Orb-v3 is now live on the MLIP Playground. If you're interested in testing and comparing Orb-v3 with universal MLIPs from MACE and FairChem but don't want to build your own computational stack, try MLIP Playground now! huggingface.co/spaces/ManasSh…
You can now adjust the shininess of your molecules in the v1.9.4 of CrysX 3D-Viewer. 👉bragitoff.com/crysx-3d-viewe…
🚨 Postdoc Opening – Quantum Transport & Nanostructures Join the Pauly Group @UniAugsburg (Theoretical Physics I) on cutting-edge research in charge & heat transport, excited states, DFT, NEGF & TURBOMOLE development! 📍 2-year position, extension possible 🧠 PhD in…
Check out this quick tutorial on how to create nice molecular visualisations for your poster, graphical abstract, TOC, journal cover, and so on
Wanna make visualisations like these in real-time?🧐 (without installing Blender) ➡️Download CrysX-3D Viewer now! Available on 💻Mac, Windows, Linux and 📱Android. 🔗bragitoff.com/crysx-3d-viewe…
MLIP Playground for molecules and materials
MLIP Playground for molecules and materials
📢 Job Opportunity at the University of Wuppertal 🖊️ Application Deadline: April 7, 2025 🔗 Apply online via (position no. 25055): …ellenausschreibungen.uni-wuppertal.de 📩 Contact: Prof. Dr. Hilke Bahmann ([email protected]) A 1-year postdoc position is available in the group of Hilke…
✨ Advancing functional design with Turbomole In their latest work, Wodyński et al. introduce a neural-network-based local mixing function (n-LMF), offering significant improvements in local hybrid functionals for thermochemistry, kinetics, and noncovalent interactions. This…
An excellent opportunity to pursue a PhD in the group of Prof. Marek Sierka, in Germany. Application deadline: April 01, 2025. @UniJena is a great university that fosters growth and collaboration and also provides great research facilities and environment
An excellent opportunity to pursue a PhD in the group of Prof. Marek Sierka, in Germany. Application deadline: April 01, 2025. @UniJena is a great university that fosters growth and collaboration and also provides great research facilities and environment
Our favourite electronic structure code (@TurbomoleX) now has a X (formerly Twitter) account🎉🎉🎉 Show some love ❤️
Merry Christmas 🎅🎄to all the computational materials scientists out there! Happy modeling!! May all your calculations converge!
Useful stuff #DFT #ChemTwitter
🔍 Discover our newest groundbreaking research on optical gaps in ionic materials! GW/BSE-in-DFT and CC2-in-DFT deliver exceptional accuracy with low computational costs. #ComputationalChemistry #QuantumChemistry #DFT 📖 Read here: doi.org/10.1021/acs.jc…
📢Exciting opportunity for Computational Materials Scientists Apply soon!
📢Exciting opportunity for Computational Materials Scientists Apply soon!
Ram Sri Harsha @HarshaRamsri
48 Followers 3K Following श्रद्धावान् लभते ज्ञानं तत्पर: संयतेन्द्रिय: | ज्ञानं लब्ध्वा परां शान्तिमचिरेणाधिगच्छति || संशयात्मा विनश्यति|
Jorge Barroso @jbarrozom
289 Followers 848 Following
Giacomo Melani ☮️ @giacomo_melani
945 Followers 2K Following Theoretical chemist from Livorno 🇮🇹 @eni. PhD @unipotsdam 🇩🇪. Formerly @GalliGroup 🇺🇸 @UZH_en 🇨🇭 and @cnriccom_social. AFSer in 🇦🇺
Ananth Govind Rajan @ananthgr
2K Followers 1K Following Assistant Professor @chemengiisc @iiscbangalore | Catalysis, nanotech, & materials | ECB @NanoLetters | Previously @Princeton @MIT @IITDelhi |
Jianmin Wang(王建�... @Jianmin4drugai
845 Followers 3K Following Ph.D. candidate of Yonsei University @yonsei_u; Data Science and AI Empowered Drug Discovery and Biomedicine.
, @raumdeuter28
78 Followers 3K Following
Arthur Cavichini @Acavichini
207 Followers 3K Following Cientista que adora ler e comentar sobre diversas áreas. Tweets expressam somente minha opinião.
Abhirup Roy Karmakar @AbhirupRK_
44 Followers 219 Following Postdoc at @LaStatale | PhD from @IITKgp | Condensed Matter Physics | Coding
Martin T @huiqiong1995
107 Followers 2K Following 产品工程师🧑💻｜｜Nothing is final ｜｜做正确的事情，把正确的事情做对 ｜｜job💼：AI and Molecular Simulation Platform Product Engineer
Sandip Giri @SGChemExplorer
175 Followers 1K Following Computational applied chemistry research scholar @A_Anoop_A
Marton Voeroes @MVoeroes
12 Followers 185 Following
José Monroy @JR_MonroyG
162 Followers 793 Following Chemist National University of Mexico Humboldt-Universität zu Berlin Albert-Ludwigs-Universität Freiburg
Shivam Chaturvedi @shivam_che
57 Followers 199 Following Computational Catalysis | Building catalysts atom by atom | PhD Student @chemengiisc @iiscbangalore | BTech @NIT_Jaipur
Oscar Ruiz Cigarrillo @RUCO0713
398 Followers 3K Following PhD in Applied Sciences (Photonics) Mexican 🇲🇽 Solid State Physicist | Computational Physics Enthusiast. @LaUASLP /@IICOUASLP
𝔖𝔥𝔞𝔰𝔥�... @KrishnaRS20
27 Followers 1K Following PhD Stud @likat_rostock | Originally from🇮🇳 | Masters -Supervised by @Rafa_gramage at @chimie_ISCR @RennesUniv 🇫🇷, France | Charpak Sch.| Views are my own.
Michael Grapin @michael_grapin8
114 Followers 239 Following Undergraduate at Juniata College B.S. in Biology
Toni Juan @naujinot
834 Followers 4K Following Founder & CEO at Metempsy. Computer architect/designer. Defining the future of computing
Advanced Modelling La... @ManuelMelleLab
927 Followers 4K Following 💻 simulations of most materials and molecules: If you can measure it, I can model it!💡
PNPLUTRBT @pnplutrbt
15 Followers 178 Following Panupol Untarabut 🎓 SCKKU45# 💻 Master's degree in Physics @ COMSCAT Current Status : ⚛️ PhD Student in Science and Engineering @ IRCER
Turbomole @TurbomoleX
82 Followers 11 Following 🔬 Exploring computational chemistry with TURBOMOLE. Sharing breakthroughs, insights, and research in molecular science from the global scientific community.
Yair Litman @YairLitman
263 Followers 255 Following Aqueous Interfaces | Vibrational Spectroscopy | Rate Theories | Quantum dynamics @ChemCambridge @Cambridge_Uni
Manpreet Singh @The_ManPreet
284 Followers 754 Following Bagged fancy logos at: @UnivofDelhi @AcSIR_India @CSIR_IND JSPS_PostDoc: @kyushuuniv_jp @UTokyo_News_en Looking for new functional materials 🔬 He/His/Him
Japhert Chang @japhertjpeg
0 Followers 4K Following
adam @adamsapnik
1K Followers 1K Following postdoc at copenhagen university // previously at cambridge materials and oxford chemistry // disorder and diffraction 🏳️🌈
Shawn Yin @shawn_xyin
122 Followers 1K Following AI4science, autonomous scientific discovery, clean energy and sustainability
Ashok Kumar @AKBansal1991
159 Followers 1K Following PhD student at IIT Kanpur | Computational Chemistry. Apart from 'Chemistry', another interest is to understand the 'Chemist' and relation between both of them.
Can OGUZ @Can_Oguz
98 Followers 2K Following
Tarun Yadav @_tarun_yadav_
744 Followers 5K Following Cricket enthusiast | Wordle warrior | Tech lover | PhD Scholar | We commute together because we have a common set of eigenfunction
Angel Mary Chiramel T... @AngelMaryCT1
364 Followers 1K Following MSCA doctoral candidate @fcrelaxometry @unirostock BS-MS @iiserkol | KVPY (2019-23) | Charpak lab scholar '22 Ex-iGEMer @iGEM_IISERkol #NMRtheory#CompChem
Yonathan de J. Parra @YparraEdu
202 Followers 1K Following Science, Education, and Life enthusiast. Chemistry professor 🧪 Research group director.
senthilkumar @senthil43386719
4 Followers 162 Following
Nadeem Khan @NadeemKhan104
82 Followers 983 Following Senior Research Associate, Department of Physics, Aligarh Muslim University, Aligarh
Ravi Darbha @DarbhaRavi
5 Followers 203 Following
Erik Uribe @ErikUribev
196 Followers 661 Following Reticular chemistry. Synthesis and functionalization of (MOFs). @iquimicaunam
Mohammad Fahda @leaonarde
6 Followers 958 Following
Basil Raju Karimadom @Basilkarimadom
135 Followers 513 Following Post-Doc @bengurionu | Computational catalysis | Alumnus: @arieluniversity (Ph.D) & @shc_thevara | 🇮🇳
화학과 학부생�... @cationoitac
55 Followers 346 Following 눈에 들어오는 것들 리트윗하고 다닙니다. 뻘글이나 잡소리가 대부분입니다. a mile wide and an inch deep
Computational Chemist... @Compchemcimav
285 Followers 144 Following Computational Chemistry Mario's Group at Cimav Monterrey, Mexico.
Yang GAO @ygaoxs
204 Followers 644 Following Associate Prof. @UESTC1956｜Computational Chemists and Physicists | Study Molecular Science via Physics-Based Theory & Models. Views My Own!
Himanshu Joshi @joshiphy
1K Followers 1K Following Assistant Professor of nano-biophysics @IITHyderabad. Our lab uses computer simulations to discover exotic phenomena at the nanoscale. Marathon runner
z @betaokumura
317 Followers 3K Following a dog in human’s clothing | interested in math + informatics + chemistry (sometimes even philosophy) | no hate but curiosity really killed the cat 😉
Graciele Arvelos @ArvelosGraciele
52 Followers 522 Following
ErickCerpa @cerpa_erick
122 Followers 535 Following
Cheap Trick ☮️�... @Jeffreyvasily
122 Followers 2K Following 盲流子🇸🇬/Ph.D in Theoretical Physics/Former talkaholic/ Former Night Owl Champion
Shivam Chaturvedi @shivam_che
57 Followers 199 Following Computational Catalysis | Building catalysts atom by atom | PhD Student @chemengiisc @iiscbangalore | BTech @NIT_Jaipur
Turbomole @TurbomoleX
82 Followers 11 Following 🔬 Exploring computational chemistry with TURBOMOLE. Sharing breakthroughs, insights, and research in molecular science from the global scientific community.
Rowan @RowanSci
2K Followers 4 Following molecular design and simulation tools for scientists. (also see our literature-posting account @RowanReads.) (cover image from @owl_posting)
Cristina Trujillo �... @Trujillo_Group
4K Followers 3K Following Computational Organic Chemist @UoMChemistry. #compchem. Mum of 3 boys 🤩. Cyclist, yogi, cook, rock. Views my own.
Davide Ceresoli @davide_ceresoli
271 Followers 315 Following Senior scientist at CNR-SCITEC #scitec. Computational materials scientist #quantumespresso. DFT code development. Cat lover and amateur musician (saxophone)
Computational Materia... @CMSGFSU
99 Followers 27 Following Theory and Simulations of Complex Materials @UniJena
Kjell Jorner @kjelljorner
3K Followers 939 Following Assistant Professor of Digital Chemistry at @ETH_DCHAB. Leader of the @DCL_ETHZ. Making chemistry more sustainable within @NCCR_Catalysis. Views my own.
Paulo E. Abreu @peabreu_
1K Followers 5K Following Professor of Chemistry@Universidade de Coimbra. Chemistry, cooking, clarinets, symmetry, music, art, computers and programming all make me tick!
Alexandru B Georgescu @AlexandruBG
2K Followers 2K Following Asst. Professor: Indiana University - Bloomington Theory of Materials & random birdposting Physics PhD-Mat Sci postdoc-Chem Prof @IUBChemistry Opinions mine
JCIM & JCTC Journals @JCIM_JCTC
10K Followers 976 Following Tweets from Journal of Chemical Information and Modeling (JCIM) and Journal of Chemical Theory and Computation (JCTC) from @ACSPublications
JCTC Papers @jctc_papers
4K Followers 2 Following New papers in J. Chem. Theory Comput. (not affiliated with ACS)
ETSF @ETSFlab
231 Followers 48 Following A knowledge center for theoretical spectroscopy https://t.co/fEzNJaMXPu
Michael Böhme @theochemiker
500 Followers 477 Following science, computers, digitization, spaceflight, climate crisis // theoretical chemist 👨🔬 // computer enthusiast 👨💻 // worked at @UniJena and @shapeXT_com
Universität Jena @UniJena
6K Followers 0 Following Dieser Account der Friedrich-Schiller-Universität Jena ist inaktiv. Mastodon: https://t.co/tZaIwt1Ve2 Bluesky: https://t.co/QLirLgxGeh
CompChemBio Bot 💻�... @CompChemBioBot
3K Followers 1 Following (Comp)utational (Chem)istry & (Bio)logy Bot • Retweeting all computational life sciences & drug discovery hashtags 👆• Creator: @filip4science 🇷🇸🇩🇪🇸🇪
Tom Tolkien @tomtolkien
75K Followers 14K Following Editor of @schoolreading and @k12readinglist. Avid snapper. I don't monitor DMs. #kidlit | #booktwitter
Basil Raju Karimadom @Basilkarimadom
135 Followers 513 Following Post-Doc @bengurionu | Computational catalysis | Alumnus: @arieluniversity (Ph.D) & @shc_thevara | 🇮🇳
Hassan Khartabil @khartab
3K Followers 6K Following Theoretical & computational chemist #compchem #HPC #Recherche #EnseignementSup #ESR #Université #CharlevilleMézières #Ardennes **Perso acc**RTs not endorsements
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
Anoop A @A_Anoop_A
2K Followers 2K Following Professor @dukerala. On leave from @IITKgp. #compchem researcher, #AI/#ML/#coding enthusiast. Assoc Editor for J. Mol. Graph. Model.
hannah @hkadams_
1K Followers 747 Following
Mario Barbatti @MarioBarbatti
5K Followers 1K Following Theoretical chemist and physicist Professor Aix Marseille Univ Senior member @InstUnivFr Head of the ICR #TheoChem group https://t.co/xTjlPkUqCQ
The TheoCheM Group (I... @VU_TheoCheM
2K Followers 55 Following This account is no longer active. Stay updated and connect via these platforms: 🌐 Website: https://t.co/tI58BPNq0q 💼 LinkedIn: https://t.co/0PThYb4EUo
Sebastian Kozuch Comp... @KozuchSebastian
2K Followers 745 Following Chemistry Prof. @bengurionu 🇮🇱🇦🇷 Quantum, Catalysis, Tunneling and the Chemical Bond. Plus some other stuff loosely connected with science and the academy.
ccp5 @CCP5UK
313 Followers 26 Following condensed matter, soft matter, software development, science
CrysX @CrysX_Bot
2 Followers 11 Following A bot that provides information on molecules and solid state crystals. Devleloped by @ManasSharma07
Manas Sharma, PhD �... @ManasSharma07
1K Followers 1K Following Postdoc @iiscbangalore 🎓PhD from @UniJena 👨💻Developed @CrysXApp 📽️YouTube (~19k): https://t.co/pGCKwodN5B 📸Instagram: https://t.co/TECcZFp1OG
Computational and The... @ctcgunab
3K Followers 2K Following Computational and Theoretical Chemistry Group at @uandresbello, in Santiago, Chile
Developers @XDevelopers
702K Followers 750 Following The voice of the X Dev team and your official source for updates, news, and events, related to the X API.
Stefanie Kickinger @zmuvas
384 Followers 888 Following feminist | pharmacist | structure-based modeling | molecular pharmacology | computational drug design | transporters | @Boehringer @UCPH_health #WomenInSTEM
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462 Followers 406 Following Comp. Chemist for biomolecules, protein engineering, QM/MM, excited states, automation | PhD | cis-het, he/him/his | Opinions my own.
KerstinKleese @KerstinKleese
384 Followers 172 Following Director of the Computational Science Initiative (CSI) @DOEScience @BrookhavenLabCS, we are pushing the boundaries of #BigData analytics and #QuantumNetworking
Pascal Friederich @P_Friederich
668 Followers 322 Following Juniorprofessor at the Karlsruhe Institute of Technology, interested in artificial intelligence and machine learning for material science and chemistry.
CompChemURG @CompChemURG
744 Followers 417 Following Elevating Underrepresented Groups and Allies in Computational Chemistry | #CompChemURG #CompChemEveryone | [email protected]
Computational Chemist... @ComputationalC1
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