Psi-k @Psik_Network
Psi-k is a network, co-ordinated by a series of working groups, to help build cooperation in the field of electronic structure calculations psi-k.net Europe Joined July 2013-
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Congratulations to Jon Lafuente Bartolome on winning the Volker Heine Early Career Award, and to the other superb finalists. It was a real pleasure to be in the jury and hear from these young researchers — our field is in good hands!
The winner of Volker Heine Early Career Investigator Award is Jon Lafuente Bartolome. Well done !! 👏👏🥳🥳
Psi-k @Psik_Network was intense & inspiring! Great to meet new & old faces (finally in 3D, not just 2D 😅)! Loved sharing our work on reactive interfaces on the big stage. Hope our ideas help make sampling complex interfaces a bit easier. Soon more to come from @SchwallerGroup!
What a fantastic conference! Thank you to every single person who made it a huge success—from our inspiring speakers and wonderful attendees to our supportive sponsors and the amazing team who worked tirelessly behind the scenes. Your energy made this a truly memorable event👏👏
Congratulations to all of our poster competition winners... you were all fantastic! Outstanding work !!! 👏👏👏
The winner of Volker Heine Early Career Investigator Award is Jon Lafuente Bartolome. Well done !! 👏👏🥳🥳
"Collaborating Early career Investigator Award" goes to Gunnar Felix Lange and Bo Peng. Well done !!👏👏
Final poster session on the last day
Here are some pictures from today's symposia #psikconference25
Absolute pleasure to be back in Lausanne for Psi-k to give an invited talk — even if Nicola Marzari and Leeor Kronik stole a lot of my thunder with (excellent) plenary talks! If you're at Psi-k come along to Room 4 at 10:15 to find out more about our work on Koopmans functionals.
Day 3 of the Psi-k conference begins with a plenary talk from Lilia Boeri on " Designing the Next Generation of Superconductors: Successes and Challenges in Materials Modelingo "
CECAM is at the @Psik_Network Conference in Lausanne, Switzerland! Come and see us at the CECAM booth to learn more about our activities & about Lhumos, a growing repository of training material in quantum and classical simulations of matter.
The poster session is now in progress! Join us and see the amazing work on display. Remember to tag @Psik_Network
We're excited to be in Lausanne this week at the @Psik_Network 2025 conference. Come to our booth to say hi and learn more about our exciting work directly from the team (we're hiring!).
Get ready to explore! The Poster Session 1 starts today at 13:30 #psikconference25
Welcome 🙂
Insightful symposia in full swing! We're thrilled to be hosting so many brilliant minds and discussing the latest ideas at Psi-k conference 2025.
Day 1 of the Psi-k conference is a wrap! Thanks to all our speakers and attendees for a great start. See you bright and early on Day 2. #psikconference25 psik2025.net/program
A plenary talk by MARVEL director @nicola_marzari on "Moving on: from densities to spectral densities" opened the 2025 edition of @Psik_Network. Over the next 3 days there will be more plenaries, parallel symposia sessions and poster sessions 👉 psik2025.net/program
Our first Plenary talk by @nicola_marzari has concluded. He spoke on "Moving on: From Densities to Spectral Densities"
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
Machine Learning: Sci... @MLSTjournal
9K Followers 10K Following A multidisciplinary, #openaccess journal devoted to the application and development of #machinelearning for the sciences. Published by @IOPPublishing.
Jean-Philip Piquemal @jppiquem
7K Followers 2K Following Professor of Theoretical Chemistry at Sorbonne Université & Director @ LCT (UMR 7616 @CNRS)| Co-founder & CSO @qubit_pharma (My Views)
Michele Ceriotti 🇪... @MicheleCeriotti
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Andrew S. Rosen @Andrew_S_Rosen
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COSMO Lab 🇨🇭�... @lab_COSMO
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Paola Gori-Giorgi @paolagorigiorgi
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Olexandr Isayev 🇺�... @olexandr
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MaX CoE @max_center2
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Anatole von Lilienfel... @ProfvLilienfeld
6K Followers 5K Following FOLLOWS YOU Prof @UofTArtSci @UofTEngineering @researchuoft @acceleration_c @VectorInst; https://t.co/hCg3cdTftQ
Seán Kavanagh @Kavanagh_Sean_
2K Followers 924 Following Theoretically a material scientist @ChemCambridge 🧪👨🔬 via @HUCEnvironment @CDT_ACM @ImpMaterials @UCLChemistry @tcddublin🇮🇪 Check out our group website ➡️
Pierre-Francois Loos @TitouLoos
2K Followers 2K Following Theoretical chemist @CNRS @LCPQ_UMR5626 interested in excited states and developing @quantum_package #compchem #ercCoG
Joaquin Barroso @joaquinbarroso
7K Followers 4K Following Computational Chemist @UNAM_MX Science and baseball fan. Proud #LatinXChem. Follow me for #CompChem tips and jokes. Motto: “Make like a Molecule and React!”
CECAM @cecamEvents
4K Followers 66 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
David Scanlon @scanlond81
5K Followers 3K Following Computational chemist - Ab initio design of new materials for future technologies - Lead Editor of @PRX_Energy. All thoughts my own
Manas Sharma, PhD �... @ManasSharma07
1K Followers 1K Following Postdoc @iiscbangalore 🎓PhD from @UniJena 👨💻Developed @CrysXApp 📽️YouTube (~20k): https://t.co/pGCKwodN5B 📸Instagram: https://t.co/TECcZFp1OG
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Alessandro Lunghi @AleLunghi
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engorage @ENROLAN2
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KISHAN KUMAR DAKUA @DakuaKishan
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Hazel Vázquez Herná... @hazel_hern45150
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Yura Polyachenko @Harryjames537
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Giuseppe Amante @GiuseppeAmante_
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Princy Jarngal @PrincyJarngal
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SimpsonLab @Ssimpson_Lab
3 Followers 6 Following My name is Scott Simpson and I am an Associate Professor of Chemistry at St. Bonaventure University. I research PFAS and molecules on surfaces.
CRYSTAL @crystaldevsX
4 Followers 58 Following 💎 CRYSTAL software page on X. Lovely handcrafted in Turin and London since 1988.
Bartłomiej Gostyńsk... @bart_gostynski
91 Followers 854 Following Devoted fan of Agatha Cristie's novels and baroque music. PhD in computational chemistry.
Maya Khatun @mayachemie
108 Followers 230 Following Post Doctoral Researcher, ||Computational Chemistry, Atomic Clusters, DFT, Method Validation, Boron Group, Gold Thiolates|| Email: [email protected]
Irina Espejo @irina_espejo
238 Followers 353 Following AI4Science postdoc @NYU and member @PolymathicAI | PhD @NYU | Former @IBM @FulbrightSpain and @DeepMind fellow | Views my own.
Vijay Mahajan @Vijay_Mahajan01
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Cem S. @bookhashira99
13 Followers 780 Following
Aseem @Aseem1457510
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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
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Xiangwei Guo @xwguo100
5 Followers 267 Following
Suguru Yoshida @Suguru_SgY
416 Followers 583 Following Chemist, Assoc. Professor at Kyoto. Back and forth between Solid State Chemistry and Condensed Matter Physics. Former research faculty @penn_state MRI
Ricardo Rama Eiroa @ramaeiroa
303 Followers 2K Following Charlatán de feria. Gazmoño en potencia. Misántropo. Amago de cantante de Moonk. Newton International Research Fellow
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291 Followers 7K Following
Edward Francisco Mend... @otalvaro_17
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Somayeh Gholipour @Somiya2020
171 Followers 609 Following Researcher at @Uni_Stuttgart,@SalibaLab. Characterizations of Perovskite @Photovoltaics,SuperCapacitors,WaterElectrolyzer Former: UT, METÜ, AMI,EPFL
Machine Learning: Sci... @MLSTjournal
9K Followers 10K Following A multidisciplinary, #openaccess journal devoted to the application and development of #machinelearning for the sciences. Published by @IOPPublishing.
Jean-Philip Piquemal @jppiquem
7K Followers 2K Following Professor of Theoretical Chemistry at Sorbonne Université & Director @ LCT (UMR 7616 @CNRS)| Co-founder & CSO @qubit_pharma (My Views)
Michele Ceriotti 🇪... @MicheleCeriotti
3K Followers 342 Following Italian in Switzerland, @lab_COSMO PI. Husband of one, father of three. Increasing the entropy of the universe since 1982.
The Journal of Physic... @JPhysChem
34K Followers 1K Following Editors of JPC L, JPC A, JPC B, & JPC C sharing physical chemistry research articles, analysis, news, & more—Part of the @ACSPublications portfolio of journals
COSMO Lab 🇨🇭�... @lab_COSMO
4K Followers 456 Following Computational Science and Modelling of materials and molecules at the atomic-scale, with machine learning. Join us in the fediverse @[email protected]
Paola Gori-Giorgi @paolagorigiorgi
2K Followers 752 Following electrons | lover of DFT | Microsoft Research & professor of theoretical and mathematical chemistry (VU Amsterdam) | views my own |EN/NL/IT/FR (also mix)
Olexandr Isayev 🇺�... @olexandr
10K Followers 4K Following #CompChem Prof @CMU_Chem. Connecting chemical sciences with AI & #MachineLearning. #tarheels fan. Care:#design, #photography #Ukraine #cats🐈 Rants are mine
MaX CoE @max_center2
2K Followers 870 Following Driving the exascale transition. A European e-infrastructure funded by the EuroHPC Joint Undertaking within Horizon Europe GA 101093374. #MaX_CoE
Anatole von Lilienfel... @ProfvLilienfeld
6K Followers 5K Following FOLLOWS YOU Prof @UofTArtSci @UofTEngineering @researchuoft @acceleration_c @VectorInst; https://t.co/hCg3cdTftQ
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
Seán Kavanagh @Kavanagh_Sean_
2K Followers 924 Following Theoretically a material scientist @ChemCambridge 🧪👨🔬 via @HUCEnvironment @CDT_ACM @ImpMaterials @UCLChemistry @tcddublin🇮🇪 Check out our group website ➡️
Pierre-Francois Loos @TitouLoos
2K Followers 2K Following Theoretical chemist @CNRS @LCPQ_UMR5626 interested in excited states and developing @quantum_package #compchem #ercCoG
Joaquin Barroso @joaquinbarroso
7K Followers 4K Following Computational Chemist @UNAM_MX Science and baseball fan. Proud #LatinXChem. Follow me for #CompChem tips and jokes. Motto: “Make like a Molecule and React!”
CECAM @cecamEvents
4K Followers 66 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
David Scanlon @scanlond81
5K Followers 3K Following Computational chemist - Ab initio design of new materials for future technologies - Lead Editor of @PRX_Energy. All thoughts my own
Manas Sharma, PhD �... @ManasSharma07
1K Followers 1K Following Postdoc @iiscbangalore 🎓PhD from @UniJena 👨💻Developed @CrysXApp 📽️YouTube (~20k): https://t.co/pGCKwodN5B 📸Instagram: https://t.co/TECcZFp1OG
Miranda Quintana Grou... @GroupQuintana
4K Followers 2K Following RamO(N) Miranda-Quintana group @UF Theoretical and Computational chemistry.
Raghunathan Ramakrish... @raghurama123
2K Followers 1K Following Passionate about computational sciences and mathematical modeling
Alan Aspuru-Guzik @A_Aspuru_Guzik
19K Followers 5K Following Prof. @UofT @VectorInst @CIFAR_News AI Chair & Fellow. C150 Chair. @acceleration_c @digital_discovery
Lennard-Jones Centre @ljc_cam
497 Followers 190 Following The LJC brings together the molecular and materials modeling community at the University of Cambridge
CNRS 🌍 @CNRS
221K Followers 2K Following Organisme public 🇫🇷 de recherche pluridisciplinaire, le Centre national de la recherche scientifique c'est 33 000 personnes qui font avancer la connaissance.
HelmholtzAssociation @helmholtz_en
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Intersect Australia @IntersectAust
806 Followers 484 Following Empowering Research - We help researchers accelerate their impact through innovative technologies and expert advice.
University of Warwick @uniofwarwick
90K Followers 2K Following Official home of the top 10 UK uni (Guardian Uni Guide 2024). Follow for research, news, and campus life! Here to help 09:00 to 17:30 (GMT), Monday to Friday.
SUNY - The State Univ... @SUNY
32K Followers 2K Following College should set you up for success, not bury you in debt. Discover the State University of New York.
Uniwersytet Warszawsk... @UniWarszawski
14K Followers 420 Following Uniwersytet Warszawski #UW, https://t.co/9Vu3do9Y6P *Official Twitter account for the UW run by Press Office, https://t.co/GrG0aj2fLa* Member of the @4EUPlusAlliance.
Charles University @CharlesUniPRG
5K Followers 46 Following Charles University, founded in 1348, is one of the oldest universities in the world. Now it has 17 faculties (14 in Prague, 2 in Hradec Králové and 1 in Pilsen)
FAIRmat @FAIRmat_NFDI
700 Followers 112 Following A consortium of @NFDI_de. FAIRmat represents the interests of experimental, theoretical and computational condensed-matter physics and materials science
Sorbonne Université @Sorbonne_Univ_
24K Followers 1K Following ⚠ Compte inactif 👉 Suivez-nous sur #BlueSky : https://t.co/pZ1dBgztIr
FHI-aims @fhi_aims
565 Followers 217 Following All-electron electronic structure theory with numeric atom-centered orbitals.
DFTB+ developers grou... @dftbplus
175 Followers 2 Following Developers of the DFTB+ software package and related projects (https://t.co/bgkVmYIKb6, https://t.co/mzev0xd9ld)
Axel Groß @AxelGro4
490 Followers 116 Following Theoretical chemist studying interfacial chemistry, professor at Ulm University, Co-spokesperson of the Cluster of Excellence POLiS
Physical Sciences Dat... @PSDI_UK
269 Followers 96 Following Tweeting about the Physical Sciences Data Infrastructure funded by EPSRC.
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168 Followers 1K Following Materials Research Intel™. The Buzz on the latest Materials Research and Materials Science™. #IntelligentMaterials #MaterialResearch #MaterialScience
HsiangHui @hsianghui
8K Followers 3K Following Lecturer, PhD, Mobile App Developer. Interested in Analytics, Marketing, Coding, Entrepreneurship, EdTech, NLP
ABID Abdeldjalil l ع... @ABIDAbdeldjalil
26 Followers 835 Following Doctorant chez Laboratoire d'Écologie et Technologie Microbienne (LETMi) au L' Institut national des sciences appliquées et de technologie ( INSAT)- Tunisie
Vivek Sharma @vivekvivsharma
1K Followers 2K Following PI of Computational Bioenergetics Group. Associate Professor, University of Helsinki. Studies mitochondrial proteins with multiscale computational methods.
Ashutosh Kumar @asmolsim
316 Followers 927 Following Ph.D student at @LabVanni || Computational Bio-physics/chemistry || Intrinsically disordered proteins || Biomolecular Phase separation.
Jiayu Peng @peng_jiayu
1K Followers 1K Following 彭嘉宇 (he/him) | Assistant Professor @UBuffalo | Data-driven design of materials and interfaces for 🤖 + ⚛️ →⚡ + 🧪
Carlos Perret ⓥ @PerretCarlos
61 Followers 372 Following Chilean MTGO Grinder//ARENA Hater Master in Computational Material Science at Wuhan University of technology, China PhD student First principles simulations
Alessandra Magistrato @Magistrato_Lab
1K Followers 856 Following Research Director, CNR-IOM @ SISSA, Head of Laboratory for Computational Chemistry and Biochemistry https://t.co/UWWjeIIITL
Chad Risko @cmrisko
2K Followers 2K Following Father. Husband. Assoc. Prof. Chemistry. Proud member of @riskolab. Nerd. Sports Enthusiast. Views expressed are my own. he/him #EndNF. @[email protected]
Eric O. Akintemi (PhD... @eric_fisayo
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Mujan Seif @MujanSeif
105 Followers 199 Following Postdoctoral Researcher | Solid Mechanics and Materials at the University of Oxford | former Ph.D. at University of Kentucky | geek
Kai Exner @ExnerKai
741 Followers 215 Following Theoretical electrochemistry, catalysis, drug delivery. JProf for Theoretical Inorganic Chemistry @unidue Associate Editor @FrontEnergyRes
Physics Matters @MattersPhysics
327 Followers 1K Following
Diwakar Singh @SinghDiwakarPhy
25 Followers 71 Following PhD, Scientific Researcher, University of Duisburg-Essen (UDE) @unidue
Jaber Jahanbin Sardro... @JSardroodi
63 Followers 207 Following professor of physical chemistry, theoretical and computational chemistry, quantum thermodynamics, machine learning and beyond...
Isaiah Adams @IsaiahA55539912
1K Followers 4K Following Love animals, i’m a nerd for history, philosophy and love studying world religions. I am Catholic and love The dignity of the human person.
Oğuzhan Orhan @OuzhanOrhan13
41 Followers 390 Following Nosce te ipsum https://t.co/A63fmKH9Zn Condensed matter physics
Chinmay Tiwari @chinmaytiwari31
169 Followers 3K Following As you sow, so shall you reap🤞| गर्वित भारतीय 🇮🇳 | Die Hard Naruto Fan ❤ | M.S. - Tec de Monterrey 🇲🇽 | Ex. RIL | B.E. - L.D.C.E. | Chemical Engineer
NH @mat_infield
1K Followers 685 Following Ph.D.丨Differentiable Physics丨物理と機械学習の融合で新境地を拓きたい。丨人と違う視点にこだわりたい。丨半導体材料・プロセス丨OLED丨創薬丨博士:データ駆動型化学丨修士:量子化学計算
Nitin Singh @NitinSingh3328
216 Followers 1K Following Developer- PSSA (https://t.co/4IifqEYc42) and HDP algorithm| #Compchem #Compbio
Venkata Sai Avvaru, P... @venkatasai_a
170 Followers 903 Following Postdoctoral researcher, Electrochemistry
Barak Hirshberg @barak_hirshberg
2K Followers 1K Following #MolecularSimulations | Associate Professor @TelAvivUni 🇮🇱 | PD: Rothschild Fellow @GroupParrinello @ETH_en 🇨🇭 | PhD: Adams Fellow, w/Benny Gerber @HebrewU
Rugwed Lokhande @LokhandeRugwed
192 Followers 404 Following Theoretical and computational chemistry | Phd student at @uf | @groupquintana
André Pina @andrefpina
129 Followers 1K Following Computational Biochemist · PhD candidate at @BioSimulations, @UPorto · Writer at @F_Ciencias
Chinese Chemical Lett... @ChinChemLett
13K Followers 10K Following A leading chemistry journal by @ChineseChemSoc covering the whole field of chemistry. IF = 9.5 (2025). Tweets by @Zhichang_Liu on behalf of the editorial office
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96 Followers 84 Following Computational Materials Science/Solar Cells, Nanoelectronics/좋아하는 것 들:무한도전+만화책+사진찍기+수다/
OPTIMADE @optimade_
20 Followers 1 Following The Open Databases Integration for Materials Design (OPTIMADE) consortium aims to make materials databases interoperational.
Şahin can @sahincanalpasla
180 Followers 1K Following OpenZeka Teknoloji / Chemistry / Gaming / ....























