#computationalchemistry search results
💡 ioChem-BD helps computational chemists store, manage, analyze, and share their data. 🔬 Visualize 3D geometries, images, and plots all in one platform for deeper insights. #DataVisualization #MolecularModeling #ComputationalChemistry #ResearchTools #OpenScience
There is still time to register for our miniCUP events in Tokyo and Osaka. Register here: hubs.ly/Q03M9cn90 #CompChem #ComputationalChemistry #DrugDiscovery #DrugDesign #MedChem #MolecularModeling #MolecularDynamics #創薬 #計算化学 #AI創薬 #メドケム #分子モデリング
🤖 Prof Raghavan B. Sunoj (IIT Bombay) at @GSC_2025 brings his computational & AI expertise in the field of chemistry — exploring how ML can reshape chemical reactions. #ComputationalChemistry @JOC_OL @iitbombay @sunojchemlab @ruchianand1975 @anidchemiitb
ioChem-BD has landed in Naples 🇮🇹 for EuCompChem! Excited to connect, share ideas & talk computational chemistry 🔬✨ #EuCompChem #IOChemBD #ComputationalChemistry
Organic Reaction Search Engine for Chemical Reactivity #chemistry #Bioinformatics #ComputationalChemistry #automation nature.com/articles/ncomm…
Today marks the 20th anniversary of the passing of Prof. John Pople, Nobel laureate in Chemistry (1998). His groundbreaking contributions to computational chemistry continue to inspire the field (in 2023, his papers received >5000 citations). #ComputationalChemistry #NobelPrize
El próximo lunes @manuelperezesc y yo estaremos mezclando pasiones: una pinta en la mano mientras explicamos qué química podemos hacer con los ordenadores. ¡No te lo pierdas! 🍺💻 @pintofscienceES @ICMol_UV #PintOfScienceValencia #ComputationalChemistry #CompChem
Could someone please create a database of parameters (such as CGENFF, GAFF, etc.) for small molecules that can be directly used in MD simulations? An open platform for researchers to contribute their molecule parameters would be fantastic. #ComputationalChemistry
📢#Postdoc in multiscale molecular simulation of polymeric nanogels. For info or to apply send me a cover letter & CV! #Postdoctoral #computationalChemistry #molecularDynamics #simulations #postdocjobs #postdoc #postdocs #postdocjobs #academicjobs #universityjobs From Feb 2024
Together with @nvidia, SandboxAQ is pushing the limits of #ComputationalChemistry. By combining our Large Quantitative Models (LQMs) with a CUDA-DMRG algorithm, we're able to accelerate computational #chemistry calculations by 80x. This will catalyze a new wave of breakthrough…
Delighted to be sponsoring the UCD Computational Chemistry Summer School 2023 taking place Tuesday & Wednesday! ⚛️💻 This is an interactive, state-of-the-art #computationalchemistry course demonstrating cutting-edge research and innovation in this field run by the @cressetgroup
Excited to announce that #WATOC2028 will take place in Mérida, Yucatán, Mexico 🇲🇽, from January 9 to 14, 2028! #TheoreticalChemistry #ComputationalChemistry #WATOC If you are interested, please fill the next form: forms.gle/PapjgzkMWKXeVN…
Congratulations to our Intelligent Software Systems Research Scientist Dr. @ViktorZaverkin for receiving the Sigrid Peyerimhoff Doctoral Award for Theoretical Chemistry! His work lies at the intersection of #machinelearning and #computationalchemistry. #NECLabs
Don't let legacy CPU-powered computational chemistry tools slow you down. #Promethium is a modern, GPU-powered #computationalchemistry platform for DFT computations. It's an easily accessible SaaS application and you only pay for completed computations. Reach out to learn more!
Shared our latest work regarding development of novel methods for Metaboinformatics at ML4Science conference. #DataScience #ComputationalChemistry #ProteinLigandinteraction @deva_priyakumar @lab_sengupta @IIITDelhi @iiit_hyderabad
🏆Chemistry Europe Award – Call for Nominations The award recognizes outstanding contributions to the field of #theoreticalchemistry & #Computationalchemistry with an optional focus on AI in chemistry 👉 chemistryviews.org/chemistryeurop…
We're giving you up to 20 hours of free compute time on a high-powered NVIDIA A100 GPU to help you accelerate your chemistry research and make new discoveries on #Promethium. Sign up for this offer while it lasts! #computationalchemistry hubs.la/Q024nkWt0
Don't forget - this Saturday at #Druid23 our PDW on 🧪🧪"The building blocks of (nearly) everything". Fantastic line-up of speakers and amazing topic at the intersection of #innovation and #computationalchemistry. @esmtberlin @DRUIDsociety #innovation #technology
The definitive guide to organic semiconductors is here! "The WSPC Reference on Organic Electronics" edited by Bredas & Marder provides an in-depth look at the basics and advanced applications.#computationalchemistry
Register now and start your CADD journey at a lower price: lnkd.in/gR9aRgVD #CADDTraining #DrugDiscovery #ComputationalChemistry #FutureGRINNextGen #ScienceEducation #ResearchSkills #Pharmacology #BiotechAfrica #STEMLearning #DigitalScience
🌍 The ioChem-BD instance at @BSC_CNS keeps growing — now with 775 users across 60+ countries! Our top countries by number of users: 🇺🇸 US: 97 🇨🇳 China: 94 🇪🇸 Spain: 74 🇧🇷 Brazil: 47 🇮🇳 India: 40 🇬🇧 UK: 31 #ComputationalChemistry #OpenScience #ioChemNews #BSC #DataDrivenScience
MALDI-TOF's precision for microbial ID is impressive! How about integrating ML for predictive diagnostics? #ComputationalChemistry
📢Next week! #SBQT2025 #ComputationalChemistry #DataManagement #FAIRdata #OpenScience #bigdata #CienciaBrasil #ioChemBD #Reproducibility #Science #Brasil #Brazil
🎯 Struktur- und Eigenschaftsanalyse in einem Schritt: cLogP, Molekulargewicht, Exakte Masse, TPSA. Einfach SMILES einfügen, fertig. ➡ biochemcalc.com/sfd_m?referrer…. #DrugDesign #ComputationalChemistry #MolecularAnalysis
🧪 Call for Papers — Computation 📣 Special Issue: Feature Papers in Computational Chemistry — 2nd Edition 🗓️ Submission Deadline: 31 August 2026 🔗 Learn more: mdpi.com/journal/comput… #ComputationalChemistry #QuantumChemistry #DFT @ComSciMath_Mdpi
🎉 My talk from #DrugSpace2025 by @BioSolveIT is now live on YouTube! 🎙️ Integrative Computational Approaches for Multi-Target Drug Discovery in the Arachidonic Acid Pathway ▶️ You can watch here: youtube.com/watch?v=u8wYAq… #DrugDiscovery #ComputationalChemistry #Cheminformatics
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Integrative Computational Approaches for Multi-Target Drug Discovery...
#SBQT2025 #ComputationalChemistry #DataManagement #FAIRdata #bigdata #OpenScience #MaterialsScience #CienciaBrasil #science #ioChemBD #Reproducibility #Brasil
A new era of computational chemistry is dawning, powered by the sophisticated simulation platforms developed by the visionary team at Talus Labs. #ComputationalChemistry #Science @Talus_labs
Molecular dynamics isn’t just a science, it’s motion at the atomic level. Here 4 protein–peptide complexes are shaking, flexing, adapting. Expensive to compute 💻, priceless for discovery 💡. This is how I see peptides… #MolecularDynamics #ComputationalChemistry #DrugDesign
🔬 Microsoft Research just dropped Skala - a groundbreaking exchange-correlation functional that marks a major milestone in the accuracy/cost trade-off for density functional theory! Available now on Azure AI Foundry and GitHub. #AzureAI #MSResearch #ComputationalChemistry
Chemistry+code = innovation actually happens. 10+ tools taught me: docs>clever code, UX drives dev, use feedback loops, version control = reproducibility, open source=open doors. Build for discovery, not perfection.🔬⚙️ #computationalchemistry #OpenSource idees.moleculair.es/chemistrycodes
Our ongoing CADD Training exposes participants to the science behind every connection, from virtual simulationsto real-world impact. #DrugDiscovery #CADDTraining #ComputationalChemistry #PharmaInnovation #FutureGRINNextGen
🧬 New computational chemistry LaTeX template with live molecular dynamics, DFT calculations, and drug discovery analysis! HOMO/LUMO visualizations, protein simulations, and virtual screening built-in. cocalc.com/share/public_p… #ComputationalChemistry
🎓💻 Exciting news! ioChem-BD will offer a mini-course at #SBQT2025. Learn how to manage, analyze, and share your computational chemistry data efficiently with our platform. Don’t miss it! #ComputationalChemistry #FAIRdata #OpenScience #ioChemNews #CienciaBrasil #Brazil
🧠 Für Rational Drug Design: Batch-Strukturzeichnung & Eigenschaftssortierung. ➡biochemcalc.com/sfd_m?referrer…. #DrugDesign #ComputationalChemistry #ChemInformatics
💡 ioChem-BD helps computational chemists store, manage, analyze, and share their data. 🔬 Visualize 3D geometries, images, and plots all in one platform for deeper insights. #DataVisualization #MolecularModeling #ComputationalChemistry #ResearchTools #OpenScience
🤖 Prof Raghavan B. Sunoj (IIT Bombay) at @GSC_2025 brings his computational & AI expertise in the field of chemistry — exploring how ML can reshape chemical reactions. #ComputationalChemistry @JOC_OL @iitbombay @sunojchemlab @ruchianand1975 @anidchemiitb
Organic Reaction Search Engine for Chemical Reactivity #chemistry #Bioinformatics #ComputationalChemistry #automation nature.com/articles/ncomm…
💡 ioChem-BD helps computational chemists store, manage, analyze, and share their data. 🔬 Visualize 3D geometries, images, and plots all in one platform for deeper insights. #DataVisualization #MolecularModeling #ComputationalChemistry #ResearchTools #OpenScience
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science pubs.rsc.org/en/content/art………………… #chemistry #bioinformatics #ComputationalChemistry #DFTS
El próximo lunes @manuelperezesc y yo estaremos mezclando pasiones: una pinta en la mano mientras explicamos qué química podemos hacer con los ordenadores. ¡No te lo pierdas! 🍺💻 @pintofscienceES @ICMol_UV #PintOfScienceValencia #ComputationalChemistry #CompChem
See you soon on Naples 🇮🇹 #EuCompChem2025 #EuChemS #ComputationalChemistry #materialscience #TheoreticalChemistry
ioChem-BD has landed in Naples 🇮🇹 for EuCompChem! Excited to connect, share ideas & talk computational chemistry 🔬✨ #EuCompChem #IOChemBD #ComputationalChemistry
私たちは、#CES2024 で高速ユニバーサル原子シミュレーター #Matlantis を紹介しています。 材料開発に活用してみませんか？ #computationalchemistry #materialsscience #materialsinformatics #MI
There is still time to register for our miniCUP events in Tokyo and Osaka. Register here: hubs.ly/Q03M9cn90 #CompChem #ComputationalChemistry #DrugDiscovery #DrugDesign #MedChem #MolecularModeling #MolecularDynamics #創薬 #計算化学 #AI創薬 #メドケム #分子モデリング
Join our upcoming live webinar: Exploring Computational Chemistry! #AYS #ComputationalChemistry #WebinarSeries
The computational road to reactivity scales - now published in Physical Chemistry Chemical Physics pubs.rsc.org/en/content/art………… #chemistry #bioinformatics #ComputationalChemistry #reactivity
Congrats and Gig 'Em to Dr. Daniel Tabor for his election as an RCSA Cottrell Scholar to cap the teaching, research and leadership positions he's taken on thus far in his career! Learn More: artsci.tamu.edu/news/2023/02/t… #EarlyCareerScholars #ComputationalChemistry #TAMUFaculty
🏆Chemistry Europe Award – Call for Nominations The award recognizes outstanding contributions to the field of #theoreticalchemistry & #Computationalchemistry with an optional focus on AI in chemistry 👉 chemistryviews.org/chemistryeurop…
Shared our latest work regarding development of novel methods for Metaboinformatics at ML4Science conference. #DataScience #ComputationalChemistry #ProteinLigandinteraction @deva_priyakumar @lab_sengupta @IIITDelhi @iiit_hyderabad
📢#Postdoc in multiscale molecular simulation of polymeric nanogels. For info or to apply send me a cover letter & CV! #Postdoctoral #computationalChemistry #molecularDynamics #simulations #postdocjobs #postdoc #postdocs #postdocjobs #academicjobs #universityjobs From Feb 2024
（株）化学工業日報社主催の無料ライブ配信セミナー『第２回 石油・化学産業向けDXサミット』で講演いたします。いよいよ来週13日です。この機会に是非ご参加ください。 講演概要： matlantis.com/ja/news/oilche…… #computationalchemistry #materialsscience #materialsinformatics
Congratulations to our Intelligent Software Systems Research Scientist Dr. @ViktorZaverkin for receiving the Sigrid Peyerimhoff Doctoral Award for Theoretical Chemistry! His work lies at the intersection of #machinelearning and #computationalchemistry. #NECLabs
Today marks the 20th anniversary of the passing of Prof. John Pople, Nobel laureate in Chemistry (1998). His groundbreaking contributions to computational chemistry continue to inspire the field (in 2023, his papers received >5000 citations). #ComputationalChemistry #NobelPrize
Delighted to be sponsoring the UCD Computational Chemistry Summer School 2023 taking place Tuesday & Wednesday! ⚛️💻 This is an interactive, state-of-the-art #computationalchemistry course demonstrating cutting-edge research and innovation in this field run by the @cressetgroup
Together with @nvidia, SandboxAQ is pushing the limits of #ComputationalChemistry. By combining our Large Quantitative Models (LQMs) with a CUDA-DMRG algorithm, we're able to accelerate computational #chemistry calculations by 80x. This will catalyze a new wave of breakthrough…
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