CCSC2024 @CCSC2024
Chemical Compound Space Conference (CCSC2024), May 21-24, 2024, Heidelberg, Germany ccsc2024.github.io Heidelberg Joined November 2023-
Tweets52
-
Followers143
-
Following56
-
Likes4
Enrico Tapavicza is introducing us to photoinduced molecular nano-motors through machine-learning approaches #CCS2024
0
0
9
952
0
Download Image
For the last talk before lunch break we have the chance to listen to Christoph Bannwarth @BannwarthTC from the Aachen university with a speech on molecular identifier #CCSC2024
Professor Sergei Manzhos from the Tokyo institute of Technology is currently taking the stage to present IS work on reliable Machine-learning form in high dimension with Kernel databases #CCSC2024
This morning coffee break ends and it is now to professor Julia Westermayr from Leipzig university to present her talk on Chemical discovery by machine-learning #CCSC2024
The presentations are still going thanks to professor Pavlo Dral @PavloDral from the Xianey university with some AI simulation in chemical compound space #CCSC2024
Let's begin the last day of the 2024 Chemical Compound Space Conference with a stance of professor Steven A. Lopez @StevenLopez_neu from the Northeastern University on Machine-learning-accelerated photodynamics simulations #CCSC2024
We are now closing today's presentation with professor François-Xavier Coudert @fxcoudert work on data-based methods to discover novel materials and understand better the old ones #CCSC2024
Professor Milica Todorović from the Turku University in Finland resumes the présentations set with an active learning for data-efficient optimisation of functional materials #CCSC2024
Professor Jacqueline M. Cole of Cambridge University kept the crowd on its toes before a coffee break with a presentation on auto-generated databases. #CCSC2024
Professor Michele Ceriotti @MicheleCeriotti from the EPFL is now opening today's presentation set with a stance on uncerty quantification for trustworthy exploration of chemical space #CCSC2024
The poster session is in full swin, don't forget to vote for your 3 favourite posters with the QR code disposed on the tables
The last presentation of today is hosted professor Stefan Vuckovic @stefan_theochem from the university of Fribourg with a stance on transferability in machine-learned density functionals #CCSC2024
Professor Thijs Stuyer @thijsstuyver from Chimie Paris-Tech is now taking the stage to support a workflow on hybrid computational for reaction screening discovery #CCSC2024
Professor Phillip Seeber from the Jena university is serving the new SPICY functional framework for multilayer fragment methods #CCSC2024
Professor Renana Gershoni-Porane @Aromaticist from the Israël Institute of Technology begins today last presentation session with the shiniest data science speech #CCSC2024
Before a small break, professor Lukas Hörmann @LHphysics from the university of Warwick introduces us to atomic scale insights into frictional energy dissipation mechanisms #CCSC2024
It is now to professor John Keith from the university of Pittsburg to shed light on new paradigsm for atomic scale reaction mechansim on the stage of the 2024 CCS conference #CCSC2024
Professor Klaus Robert Müller from the technical university of Berlin is now presenting how XAI can meet chemistry #CCSC2024
Mario Villares @Mario_Villares_
49 Followers 119 Following PhD student in Computacional Chemistry at the Quantum Chemistry Group @QCG_URV @universitatURV @quimicaURV
Shirddest @ShirddestdoOS5
35 Followers 1K Following
Radoslav Krivak @rdkbio
762 Followers 7K Following 🧬 Structural Bioinformatics | 💊 AI/ML for Drug Discovery | Geometric DL 🔬 @IOCBPrague, prev. PhD @cusbg @matfyz
Ahmed Youssef @QuantumRamses
257 Followers 2K Following Theoretical physicist. Uncertainty and causality in ML. VP Data Science. Berlin. Opinions are my own.
Wonyoung Choe @chem571
1K Followers 1K Following Professor | UNIST 🇰🇷 | Porous Materials | Digital Discovery for sustainable 🌏 #ChemicalSpaceExplorer | @ChoeGroup
David de Lima @thedaviddelima
34 Followers 237 Following PhD Student @IQTCUB with the Doctoral INPhINIT Fellowship @BecariosFLC
Providence Ashishie B... @betelwhobe21779
0 Followers 4 Following
Kortney Melancon, PhD @kmelancon_phd
48 Followers 201 Following Computational Chemist ⚛️ • Drug Hunter 👩🏻💻 • Science Communicator ✍🏼 • Happiest when camping 🏕️
Pawan Chhipa @_chhipa_pawan
4 Followers 65 Following Researcher | Machine learning |computational chemistry
khaled kahouli @KahouliKhaled
4 Followers 61 Following Doctoral Researcher in Machine Learning at BIFOLD, TU Berlin
HITS @HITStudies
3K Followers 1K Following The Heidelberg Institute for Theoretical Studies (HITS): Basic research, Science, Math & CS @petersaueressig @science_comms https://t.co/EpuCXe3FaJ
Eline @elinekempkes
1 Followers 33 Following PhD candidate in Computational Soft Matter at UvA 🔬 | Loves the intersection of Computational Physics & AI 👩🏻🔬 | Feminist ✊ | Effective Altruism Enthusiast
Petium @jimguihao
0 Followers 30 Following
Hernán Rueda B @HernanDRB97
19 Followers 443 Following
Yongchul Chung @DrYGChung
2K Followers 4K Following Professor in Chemical Engineering @ Pusan National University, South Korea
Hassan Khartabil @khartab
3K Followers 6K Following Theoretical & computational chemist #compchem #HPC #Recherche #EnseignementSup #ESR #Université #CharlevilleMézières #Ardennes **Perso acc**RTs not endorsements
Ruijie (Ray) Zhu @RuijieZhu166
91 Followers 741 Following PhD student @UChicago PME | Prev. CCMS Fellow @LLNL | Prev. Predoctoral Appointee @Argonne | M.S. @Northwestern
Nicoleta Spînu @nicospinu
451 Followers 580 Following Research scientist in computational toxicology
John Chodera (he/him) @jchodera
9K Followers 7K Following Changing drug discovery one ratio of partition functions at a time. Heading up antiviral discovery for pandemics: https://t.co/uN4XpX1mjt https://t.co/YAg9PBYuBl
Carolin Müller @cmueller_chemie
109 Followers 81 Following Feodor Lynen Postdoctoral Researcher @tcpunilu / Passionate chemist (BSc/MSc) exploring photoexcited molecules & materials.
oo @oo95014478
2 Followers 371 Following
Mirela Puleva @MirelaPuleva
41 Followers 117 Following Doctoral researcher at Theoretical Chemical Physics group @TCPUniLU, University of Luxembourg @uni_lu
Kolli Sarath @kollisarath
284 Followers 1K Following Accelerating sciences research using AI. Founder at @bayeslabs CEO at @labsboltzmann #OpenResearcher #Entrepreneur
Maximilian Xaver Tief... @MXTiefenbacher
67 Followers 65 Following
Valentin Gradisteanu @PDBXtra
120 Followers 880 Following Importing&Exporting🅱️roteins// (EM)TCCM Student '23-'25 @UV_EG// MSCA PhD candidate @SAMSONConnect// Wannabe Scientific Illustrator//
Dario Calvani @DarioCalvani
230 Followers 622 Following PostDoc Researcher @HZDR_Dresden @CASUSscience - Guest at @UniLeiden @penn_state - Computational Chemist in 2D Materials, Energy&Sustainability
Edgar Sanchez @SanchezEdgarM
179 Followers 398 Following 🇩🇪 PhD candidate @MPI_Magdeburg | Alumni @ImperialCollege 🇬🇧 @quimica_unam 🇲🇽| @riiaa_org | ML and GNNs for chemical engineering
Yao Wei @yaowei1004
16 Followers 238 Following Computational Biochemistry | @MetRaZymes PhD student @LaStatale | 🇨🇳🇸🇪🇨🇭🇮🇹
Leticia Gomes @leticia_a_gomes
190 Followers 304 Following Chemistry PhD Candidate @Northeastern @nodecrashers • Photochemistry 💡⚛️ • @ADSE_NEU 🎓• @nsycc 🧪
Itamar Borges Jr @ItamarBorgesJr
148 Followers 1K Following Theoretical and Quantum Chemist. Research in quantum chemistry of functional materials, photochemistry, molecular dynamics and Machine Learning (ML).
ANDRES GARCIA @ELCARIBEABELINO
139 Followers 888 Following UN CAMARADA, UN SOLDADO MAS QUE ESTA PARA DEFENDER LA TIERRA, LA HUMANIDAD Y EL SOCIALISMO.
Benjamin Laubach @LaubachBenjami1
53 Followers 234 Following Machine Learning Potentials - @UMichChe
Mehdi Ghasemi @meghasemi96
56 Followers 542 Following
Maitreyee Sharma @SharmaMaitreyee
190 Followers 438 Following Physics-driven material discovery for space and energy applications | Hypersonic flow modeling | Asst. Prof. Aerospace Engineering VT
Alexander Ruf @rufalexan
170 Followers 1K Following ORIGINS Fellow & PI @LMU_Muenchen & #ExcellenceClusterORIGINS #Astrochemistry #ComputationalChemistry #DataScience #NetworkScience
Kristaps Ermanis @ErmanisKristaps
117 Followers 395 Following Computational organic chemist, assistant professor at @NottsChemistry On Mastodon: @[email protected]
Heini 💉💉💉 @Heini_dppf
246 Followers 864 Following PostDoc @ Vector; Quantum Chemistry + Machine Learning = Quantum Machine Learning (QML)
jonan.gueorguiev @jonan_the
8 Followers 83 Following
Markus Rauhalahti, Ph... @MRauhalahti
889 Followers 7K Following Applied metascience + human-computer interaction + digital chemistry. Independent researcher, prev computational chemistry/biophysics/*informatics @helsinkiuni
Pavlo Dral @PavloDral
2K Followers 260 Following Professor at Xiamen University, theoretical chemist, #compchem, #ML, #AI, #mlchem Ukrainian
Renan Vidal Viesser @RViesser
741 Followers 1K Following computational organic chemist and NMR spectroscopist 👨🏻💻👨🏻🔬🧲🧭 visiting researcher @ufscaroficial ~ postdoc alum @JudyWuChem ~ PhD alum @unicampoficial
PSVR MANEESH @ManeeshPsvr
146 Followers 1K Following PhD student in Computational Chemistry @TUChemboat @LabMatsika BS-MS @IiserTirupati
Premraj Thakur @PremrajThakur8
42 Followers 3K Following
Merck @merckgroup
25K Followers 424 Following A leading science and technology company in life science, healthcare, electronics. Not intended for US&CA visitors. https://t.co/BMQ0MXnhuB…
Marcel Müller @MrclMllr
403 Followers 271 Following Computational chemist in the @GrimmeLab @ @UniBonn working on QM developments and novel digital solutions. Before w/ @MerckGroup. Co-Founder of @SzGesellschaft.
Nathan 𒌐 @nathan_pierrat
34 Followers 228 Following
Rebecca Neeser @RebeccaNeeser
417 Followers 391 Following PhD student at LIAC (@SchwallerGroup) and LPDI @EPFL | previously @ETH Zurich and @MIT
Stefan Vučković @stefan_theochem
891 Followers 1K Following Head of Theoretical Chemistry lab at University of Fribourg (🇨🇭). From 🇷🇸. Views are my own
Enrico Tapavicza @TapaviczaEnrico
105 Followers 293 Following
Bing Huang @hbdft2008
52 Followers 64 Following Postdoc@unibas compchem, qml, conceptual DFT, electrochem
FX Coudert @fxcoudert
10K Followers 871 Following Senior researcher @CNRS, computational chemist, professor @PSL_Univ. First responder & instructor @CroixRouge. Now on https://t.co/BQwHVaQTyH
Bannwarth Lab @BannwarthTC
1K Followers 939 Following Theoretical Chemistry Research Group at RWTH Aachen University
Andy Sode Anker @SodeAndy
521 Followers 566 Following Postdoc @ DTU Energy | Novo Nordisk Foundation Grantee | Visiting Postdoc @ Oxford Chemistry | Materials chemistry, ML & automation | Forbes 30 under 30 Europe
Adrian Roitberg 🏳�... @adrian_roitberg
5K Followers 874 Following Tries to pass as a computational chemist. Bostero fanatic. He/Him. Comments are my own and do not reflect my institution.
PoranneGroup @PoranneG
397 Followers 155 Following Computal Chemistry Group at The Schulich Faculty of Chemistry at the Technion. Awesome people doing awesome science :-)
Gabe Gomes @gabepgomes
6K Followers 7K Following autonomous science enabler & digital molecular designer | Assistant Professor @CarnegieMellon | h(e/im), views my own
Frank Noe @FrankNoeBerlin
12K Followers 547 Following Scientist, #MachineLearning and #AI for the Sciences (esp. Physics/Chemistry). Scuba Diver and Traveler.
John Chodera (he/him) @jchodera
9K Followers 7K Following Changing drug discovery one ratio of partition functions at a time. Heading up antiviral discovery for pandemics: https://t.co/uN4XpX1mjt https://t.co/YAg9PBYuBl
David Mobley @davidlmobley
4K Followers 217 Following Professor, PharmSci & Chem @UCIrvine. Grad program director. Editor @LiveCoMS. Christian, dad of 6. @[email protected]
Renana Poranne @Aromaticist
2K Followers 508 Following Mom, Partner, Physical Organic Chemist, Teacher, Music-Lover, Bookworm. All views expressed are my own. ;-)
Alan Aspuru-Guzik @A_Aspuru_Guzik
19K Followers 5K Following Prof. @UofT @VectorInst @CIFAR_News AI Chair & Fellow. C150 Chair. @acceleration_c @digital_discovery
Cristina Trujillo �... @Trujillo_Group
4K Followers 3K Following Computational Organic Chemist @UoMChemistry. #compchem. Mum of 3 boys 🤩. Cyclist, yogi, cook, rock. Views my own.
MolSSI @MolSSI_NSF
5K Followers 81 Following A nexus for science, education & cooperation serving the global community of computational molecular scientists.
clemence corminboeuf @corminboeuf_lab
2K Followers 403 Following Head of the laboratory for molecular design at @EPFL_CHE, mom of girls, wife of chemist, #compchem Retweets and likes are not endorsements
Teodoro Laino @teodorolaino
2K Followers 632 Following Research Scientist @IBMResearch | Community success at @ForRXN | Twitting on AI, Chemistry, Aviation, Science and Dogs | 🏳️🌈 | He/Him | Views are my own
Angewandte Chemie @angew_chem
111K Followers 3K Following Angewandte Chemie, a journal of the German Chemical Society (GDCh, @GDCh_aktuell) - a leading journal in #chemistry published by @WileyVCH in @Weinheim
ACS COMP @ACSCOMP
4K Followers 613 Following Computers in Chemistry Division of the American Chemical Society #compchem
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
RGB Lab @ MIT @RGBLabMIT
2K Followers 136 Following Official Twitter for the Gómez-Bombarelli group @MIT_DMSE | We use atomistic simulations and ML for accelerated materials design | Managed by group members
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
Pavlo Dral @PavloDral
2K Followers 260 Following Professor at Xiamen University, theoretical chemist, #compchem, #ML, #AI, #mlchem Ukrainian
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
Volker Deringer @vl_deringer
3K Followers 2K Following Computational chemist, curious about the atomic-scale structure of materials & #MachineLearning for chemistry. Associate Professor @UniofOxford
Kevin M Jablonka @kmjablonka
2K Followers 3K Following Trying to teach computers about materials @jablonkagroup @UniJena & @HZBde. You can use https://t.co/HXvlhpq56i to provide feedback.
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]
Boris Kozinsky @bkoz37
991 Followers 97 Following
Guido von Rudorff @ferchault
996 Followers 643 Following Professor for Computational Chemistry of Nanomaterials @uni_kassel. Married, two children & has a dog.
Gerit Brandenburg @JGBrandenburg
2K Followers 861 Following 🎬 Director for #Digital #Chemistry @merckgroup 🚀 Founder and CEO @quastify 🏐 Volleyball coach 🏳️🌈 he/him 🇪🇺
Fernanda Duarte @fjduarteg
6K Followers 2K Following Computational Chemist. Assoc. Prof. @OxfordChemistry. Proud member of @duarte_group. Organic Chemistry Fellow at @HertfordCollege...You can find me on LinkedIn
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.
Jan Weinreich @WeinreichJan
451 Followers 433 Following Founder/CEO Chembricks Opinions my own Physics first , Machine learning 2nd.
LIAC at EPFL @SchwallerGroup
2K Followers 424 Following Laboratory of Artificial Chemical Intelligence at @EPFL | led by @pschwllr | AI-accelerated discovery and synthesis | part of @NCCR_Catalysis | team-run account
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
Philippe Schwaller (h... @pschwllr
5K Followers 3K Following Tenure-Track Assistant Professor of Digital Chemistry at @EPFL with @SchwallerGroup | @NCCR_Catalysis | prev @IBMResearch @forRXN | ML/AI-accelerated Chemistry
Julia Westermayr @JWestermayr
2K Followers 942 Following Assistant Prof. @UniLeipzig & passionate runner | #LINO22 | PostDoc @compsurfchem @warwickuni | PhD @theo_chem @univienna | ML/DL, photochemistry | she/her
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.
TCPUniLu @TCPUniLu
959 Followers 701 Following Theoretical Chemical Physics Group of Prof. Alexandre Tkatchenko at the University of Luxembourg @uni_lu
Molecular Machine Lea... @molecularML
3K Followers 3K Following Team-run account of the Molecular ML research group led by @fra_grisoni | #AI for Drug Discovery | Doing all this at @tueindhoven & @ICMStue
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
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.
Mohamad Moosavi @MoosaviSMohamad
2K Followers 2K Following Asst. Prof. of Chemical Engineering at the University of Toronto @ChemEng_UofT | #MachineLearning and #AI for the Chemical Sciences (he/him)
Digital Discovery @digital_rsc
2K Followers 266 Following This account has been archived. Stay connected with us on https://t.co/1sGCwhQbF8, LinkedIn, Bluesky, Facebook, Instagram, WeChat, YouTube and TikTok.Trends for United States
48,8 B posts
11,8 B posts
3.846 posts
5.914 posts
2.336 posts
22,8 B posts
12,7 B posts
4.454 posts
2,14 Mn posts
72,3 B posts
3.923 posts
49,9 B posts
2.841 posts
3.413 posts
3.658 posts
1.201 posts
188 B posts
29,2 B posts
1.223 posts
2.112 posts
You might like
Elon Musk
@elonmusk
225.4M Followers
Barack Obama
@BarackObama
130.6M Followers
Cristiano Ronaldo
@Cristiano
115.7M Followers
Justin Bieber
@justinbieber
108.9M Followers
Donald J. Trump
@realDonaldTrump
108.8M Followers
Rihanna
@rihanna
107.6M Followers
Taylor Swift
@taylorswift13
93.7M Followers
NASA
@NASA
87.8M Followers
Lady Gaga
@ladygaga
81.7M Followers
YouTube
@YouTube
79.0M Followers
Kim Kardashian
@KimKardashian
74.4M Followers
The Ellen Show
@EllenDeGeneres
73.2M Followers
X
@X
68.9M Followers
Virat Kohli
@imVkohli
67.9M Followers
Bill Gates
@BillGates
66.4M Followers
Selena Gomez
@selenagomez
64.9M Followers
Neymar Jr
@neymarjr
63.9M Followers
CNN Breaking News
@cnnbrk
63.9M Followers
CNN
@CNN
63.7M Followers
Justin Timberlake
@jtimberlake
59.2M Followers