Daniel (다니엘) @danielquantum
Lakukanlah bagianmu dgn setia, dan lihatlah Tuhan akan melakukan bagianNya dgn sempurna. Geneva, Switzerland Joined April 2010-
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Yuks belajar dan asah skills mengenai Machine Learning, Data Sciences, Data Analytics, Data Engineering, dan Business. Ternyata totalnya ada 100++ ONLINE COURSES dan dapat dibeli Rp. 365.000 untuk akses 1 tahun! Cuma 1000an per hari-nya! Ayo check pacmann.io/skills-100
Yuks belajar dan asah skills mengenai Machine Learning, Data Sciences, Data Analytics, Data Engineering, dan Business. Ternyata totalnya ada 100++ ONLINE COURSES dan dapat dibeli Rp. 365.000 untuk akses 1 tahun! Cuma 1000an per hari-nya! Ayo check pacmann.io/skills-100
We have a project in the Hutter group @UZH_ch about hybrid quantum-classical embedding that is suitable for a master thesis in chem/phys/materials: chem.uzh.ch/dam/jcr:d6de35… If you know interested students, please forward this link to them. 🙏 Retweets are much appreciated!
A Story of Three Levels of Sophistication in SCF/KS-DFT Orbital Optimization Procedures #machinelearning #compchem pubs.acs.org/doi/abs/10.102…
As announced in Bruxelles, the 20th International Conference on Density-Functional Theory and its Applications will be organized in @ChimieParisTech Paris (France) 25-30 August 2024. Registration is now opened: dft2024.com
Learn Data Science, Earn Certificate **ALL FREE** ❯ Python freecodecamp.org/learn/scientif… ❯ SQL openclassrooms.com/courses/207148… ❯ Excel simplilearn.com/learn-business… ❯ PowerBI openclassrooms.com/courses/743429… ❯ Tableau openclassrooms.com/courses/587360… ❯ Mathematics (Statistics)…
The 11th OpenMolcas Developers' Workshop is kicking off! Very excited to hear the many developments happened during last year! My talk is in the very first session this morning 😎
CP2K QM/MM tutorial. Check it out! github.com/arvpinto/enzym…
Very excited that our chapter on CASPT2 has been finally published! doi.org/10.1016/B978-0… In this work we summarize the CASPT2 method after a few intense years of development by @RolandLindh and I (and a few other people), but also by a number of other groups! E.g. Neese & Co.
The chapter I have written last year on ML wave function is now online in final form! 😎📖🖥️ sciencedirect.com/science/articl… In this work I discuss different approaches to represent the wave function with machine learning models; in particular RBM, GPS, FermiNet, PauliNet and SchNOrb.
Our latest paper is online and open source! Check out how we use regularization to avoid the intruder state problem in CASPT2! #compchem 💶💶 -> @snsf_ch 🙏🙏
ACS Catal. #HalogenBond Activation in #GoldCatalysis @ACSCatalysis #BondActivation #HomogeneousCatalysis #CatalystDesign pubs.acs.org/doi/10.1021/ac… #compchem
Do 2-coordinate iodine(I) and silver(I) complexes form Nucleophilic Iodonium Interactions (NIIs) in solution?. rsc.li/36SSnrw
I am very excited to announce my first solo contribution!! 🤩 "Machine Learning Wavefunction" is a chapter in an upcoming 📖 titled "Quantum Chemistry in the Age of Machine Learning" edited by @PavloDral. It should be published this fall, in the meantime: arxiv.org/abs/2202.13916
The strengths of halogen bonds in solution vary wildly and are hard to measure. This new 19F NMR method correlates changes in coupling constants with the strength of halogen bond donation for perfluoroaryl/-alkyl iodides. Much easier to measure these J couplings!
The strengths of halogen bonds in solution vary wildly and are hard to measure. This new 19F NMR method correlates changes in coupling constants with the strength of halogen bond donation for perfluoroaryl/-alkyl iodides. Much easier to measure these J couplings!
2021 starting strong! Muscle strong! pubs.acs.org/doi/10.1021/ac…
Mechanosynthesis of a Coamorphous Formulation of Creatine with Citric Acid and Humidity-Mediated Transformation into a Cocrystal pubs.acs.org/doi/10.1021/ac…
Halogen Bond of Halonium Ions: Benchmarking DFT Methods for the Description of NMR Chemical Shifts ift.tt/328Kh8y #compchem
[JCTC] [ASAP] Halogen Bond of Halonium Ions: Benchmarking DFT Methods for the Description of NMR Chemical Shifts dlvr.it/Rkvy7L
A 60th Anniversary Celebration of Löwdin lectures, December 3-4, 2020 #compchem lowdin2020symposium.se
Understanding Entanglement With SVD #compchem math3ma.com/blog/understan…
Sara Morais @sara_chemchar
1K Followers 2K Following Computational Chemist. Postdoctoral researcher at @Unistra. Postdoc @IQUSP. PhD @UnB_oficial. MSc @PPGQB_UFAL. Science & coffee & tea & books & games & cats
DFT2024 Paris @DFT2024
354 Followers 403 Following The 20th International Conference on Density Functional Theory and its Applications • @ChimieParisTech, FRANCE • August 25-30 2024
Serenity @QCSerenity
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Roberto Di Remigio @_boberto_
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David Ochoa Resendiz @DavidOchoaRese2
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Aleksey Kuznetsov @aleksey73kuzne1
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Stefano Battaglia @stefabat
1K Followers 707 Following Professional electronic structure theorist: married with wave function, cheating with the density. 💻 OpenMolcas & CP2K developer #compchem
Laboratoire de Chimie... @LCT_UMR7616
3K Followers 2K Following LCT is a joint @Sorbonne_Univ_ & @CNRS Research Center. #compchem. ⚠ Frozen account 👉 Follow us on #BlueSky: https://t.co/Z9V8Fz0Bh5
Theoretical Chemistry... @EM_TCCM
2K Followers 2K Following The Erasmus Mundus Joint Master Degree and the Doctoral Programme in Theoretical Chemistry and Computational Modelling (TCCM)
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.
Hassan Khartabil @khartab
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SCM @SCM_Amsterdam
2K Followers 2K Following Working on tough chemistry & materials R&D challenges? Try the Amsterdam Modeling Suite! https://t.co/jpvVz5ahiO
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Richard ‘Lixx’ Th... @richardthomas81
370K Followers 693K Following X Lead Guitarist 4 Rev Theory as Rikki Lixx-Solo Artist rejecting religion & following JESUS-DEEZER- https://t.co/kmqkGp6w9C
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bungamawar2703@gmail @bungamawar2703
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dicuci laundry @dicuci_laundry
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Ratu Cendol @sasayu_5989
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Fendy LoveFaith @substanceofhope
169 Followers 504 Following Campus | campus to campus | Indonesia | until all the nations
misdi.kubil @misdikubil1
50 Followers 38 Following
이민자가 아닌 �... @ikutarigan
195 Followers 455 Following
Nasya @nasyaalaska
60 Followers 134 Following nama:teman-teman sih sering manggil KEY,,haha gk tau deh siapa yg duluan|sklh:SMANLI METAL|kls:DPD(Duabelas iPa Dua)|harapan:semoga lulus dengan nilai baik amin
Eirene Astris @eirenekhu
886 Followers 357 Following
yfann - fanny @barongbali28
54 Followers 119 Following
Tinta Hitam @Tinta_Hitam2
4 Followers 11 Following Aku adalah aku.. Barisan abjad yang tergenang di antara tinta hitam...... *akun tak butuh follower*
Samuel Mulyono @samuelmulyono
286 Followers 389 Following Revivalist, Reformer, and Director and Digital Financial Expert
eva chris susanti @eva_duha
765 Followers 151 Following work with passion in Tourism and South Nias Culture• cooking lover• flowers lover• Kids lover• Teacher • Lecture• MU lover #GGMU
Fun. @schizophania
93 Followers 287 Following I wish i had a friend like me (Nyomot quote Kanye West)
karina awanda @karina_awanda
223 Followers 101 Following Life is unfair. That's why we have dreams...☺
LieYa Maria @Aya_Lene
95 Followers 347 Following Maria means a blessed woman#Traveler wanna be#Struggler#State University of Jakarta#Purple
Nelly Indawati @NellyIndawati
138 Followers 126 Following If we can not do great things, we still can do small things with great love accompanied
Fitria Rahmadianti @Ema_FitriaR
858 Followers 542 Following Passionate about food and writing. That's why I food-blog. And a bit travel-blog, wedding-blog, and event-blog. All at one place.
Pacmann Media @pacmannai
38K Followers 784 Following Curated news about Startup, AI, Tech Career, Software Engineering and Tech Business Our Training: 🔽 https://t.co/1d34QbvoIS
BRIN Indonesia @brin_indonesia
1.8M Followers 106 Following Akun Twitter resmi Badan Riset dan Inovasi Nasional (BRIN)
Machine Learning in C... @ML_Chem
5K Followers 7 Following Feed that aggregates publications about Machine Learning in Chemistry from over 200 journals of 15 editors. Contact @CYL_Lab for any question.
Python Coding @clcoding
596K Followers 94 Following 🚀 Learn #Python the fun way! 📌 Daily tips, tutorials & projects | Educator | AI Community Partner Free Course https://t.co/l9NKxZVTrz
electrochemicat @electrochemicat
9K Followers 4K Following Latest research on #batteries, #energystorage and some #electrocatalysis. Relevance predicted by regression model. Made by @kliang933 and @edwinksl. DMs open.
BIG-MAP @BIGMAP_EU
1K Followers 108 Following BIG-MAP (Battery Interface Genome - Materials Acceleration Platform) is part of @2030Battery and funded by @EU_H2020 under grant No. 957189.
BATTERY 2030 + @2030Battery
7K Followers 505 Following Inventing the batteries of the future #batteriesofthefuture #sustainablebatteries #HorizonEU #research #sustainable #batteries #science #energystorage #battery
Kang Xu (许康) @KangXu_Echem
4K Followers 153 Following Wrote a 3-lb book on Electrolytes and Interfaces; Hobbies in astronomy/astrophysics, history/archaeology, and hiking.
Quantum Package @quantum_package
934 Followers 696 Following A friendly programming environment for wave function methods in quantum chemistry developed at @LCPQ_UMR5626 and @LCT_UMR7616 #compchem
RDKit @RDKit_org
3K Followers 2 Following no longer active here @[email protected] @rdkit.bsky.social
TINKERtools @TINKERtoolsMD
3K Followers 2K Following The Tinker Molecular Modeling Package: Tinker & Tinker-HP. Developer-Friendly | Free | Polarizable FFs & ML #HPC Tweets: @jppiquem @prenbme J. W. Ponder
Tuckerman Group @GroupTuckerman
4K Followers 102 Following We perform research in theoretical chemistry, specifically classical and quantum statistical mechanics and machine learning methods applied to condensed phases.
Martin Head-Gordon Gr... @mhg_group
3K Followers 534 Following Official twitter for the Martin Head-Gordon Group at UC Berkeley (sadly, not run by the man himself).
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)
The Sokolov Lab @SokolovLab
2K Followers 221 Following Theoretical quantum chemistry group at the Ohio State University.
JobAdvertising.com @JobAdvertisings
13K Followers 10K Following The Easiest Way to Recruit and Hire. https://t.co/RlCGT2kU8W has the technology, data, and ad experts to help employers fill their jobs faster with top talent.
Kirchner Research Gro... @kirchner_group
309 Followers 134 Following Official student-run twitter of the Barbara Kirchner research group. Computational chemistry and ionic liquids. Mulliken Center, University of @UniBonn.
Chao Zhang @chazhaUU
68 Followers 34 Following A computational physical chemist interested in electrochemical systems
MathType @MathType
46K Followers 280 Following Type and handwrite mathematical notation. Easily include quality math equations in your documents and digital content. Part of @wiris_science.
Roberto Di Remigio @_boberto_
264 Followers 611 Following
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
Michele Pavanello @MikPavanello
2K Followers 611 Following Theoretical Chemist & Physicist @Rutgers_Newark
Thomas D. Kühne @DynamicsCondMat
3K Followers 5K Following Founding Director of the Center for Advanced Systems Understanding (CASUS) @CASUSscience
GROMACS @GMX_TWEET
6K Followers 3K Following Fast, flexible, and free classical molecular dynamics simulation code. Powered by C++17, CUDA, OpenCL, SYCL, and OpenMP. Global community open-source project!
Serenity @QCSerenity
125 Followers 121 Following
Joaquin Barroso @joaquinbarroso
6K 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!”
Aleksey Kuznetsov @aleksey73kuzne1
2K Followers 2K Following #compchem Comp. chemistry group leader, assistant professor. Studies of novel core-modified porphyrins, Ru-complexes, MOFs, organic compounds for medicine.
William L. Jorgensen @JorgensenWL
6K Followers 784 Following Chemistry Prof @ Yale; founding Editor JCTC; OPLS, TIPnP, FEP, Drug Design
Laboratoire de Chimie... @LCPQ_UMR5626
937 Followers 572 Following News, research and job opportunities from the Laboratoire de Chimie et Physique Quantiques (Toulouse, France). #compchem @cnrs
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
WATOC2020 @watoc2020
933 Followers 20 Following The official Twitter handle of 12th Triennial Congress of the World Association of Theoretical and Computational Chemists. ©Artwork by April White. #WATOC2020
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
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.
Swiss National Scienc... @snsf_ch
24K Followers 978 Following News about the SNSF, SNSF-funded research and national & international research policy. Français: @fns_ch Deutsch: @snf_ch
Graeme Day @graeme_day
2K Followers 721 Following Professor of Chemical Modelling University of Southampton, Associate Editor for @ChemicalScience, co-director @TMCScdt, FRSC, he/him
the Piquemal Group @PiquemalGroup
2K Followers 2K Following #compchem Research Group @ Sorbonne Université/CNRS, led by @jppiquem 👉Follow us on Bluesky https://t.co/oUwRztAGiK
JCTC Papers @jctc_papers
4K Followers 2 Following New papers in J. Chem. Theory Comput. (not affiliated with ACS)
Pierre-Francois Loos @TitouLoos
2K Followers 2K Following Theoretical chemist @CNRS @LCPQ_UMR5626 interested in excited states and developing @quantum_package #compchem #ercCoG
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
Hypervalent Iodine @HyperIodine
2K Followers 42 Following (Improved!) Feed that aggregates publications about hypervalent iodine from over 200 journals of 15 editors. Contact @CYL_Lab for any question.
CADIAC_AU @CadiacAU
98 Followers 184 Following DNRF research center of excellence doing research involving #CO2. A collaboration between @SkrydstrupGroup, @Hybridmaterlab, @AlonsoRosasH and Matthias Beller!
CO2PERATE ITN @Co2perate_ITN
193 Followers 67 Following CO2PERATE is a Marie Sklodowska-Curie Innovative Training Network funded by the European Union under the Horizon 2020 Programme ( grant agreement No. 859910).
Andrii Rudavskyi @rud217
5 Followers 18 Following
Laboratoire de Chimie... @LCT_UMR7616
3K Followers 2K Following LCT is a joint @Sorbonne_Univ_ & @CNRS Research Center. #compchem. ⚠ Frozen account 👉 Follow us on #BlueSky: https://t.co/Z9V8Fz0Bh5
SCM @SCM_Amsterdam
2K Followers 2K Following Working on tough chemistry & materials R&D challenges? Try the Amsterdam Modeling Suite! https://t.co/jpvVz5ahiO
IJQC - #CompChem @quantum_chem
928 Followers 94 Following We are moving! Follow @WileyCTChem to get updates from the theoretical & #compchem portfolio from Wiley.Trends for United States
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