#computationalchemistry resultados de búsqueda
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
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
Organic Reaction Search Engine for Chemical Reactivity #chemistry #Bioinformatics #ComputationalChemistry #automation nature.com/articles/ncomm…
ioChem-BD has landed in Naples 🇮🇹 for EuCompChem! Excited to connect, share ideas & talk computational chemistry 🔬✨ #EuCompChem #IOChemBD #ComputationalChemistry
🤖 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 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
📢#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
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
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
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!
🏆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…
🖥🧬💊 Interested in learning about new avenues in #innovation research leveraging #computationalchemistry? 🚨🚨 Don't miss this workshop @esmtberlin coming up in February. 🚨🚨 #tim #deeptech #MachineLearning #chemistry esmt.berlin/faculty-resear…
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
Invitation to join the online #BeilsteinTalk “Computationally-led catalyst design" with Cristina Trujillo @Trujillo_Group @UoMChemistry on Dec 10, 2024 🕒 3–4 pm CET. Register for FREE: 🔗 beilstein-institut.de/en/talks/organ… #ComputationalChemistry #compchem #Catalysis #BeilsteinTalks
Explore the field of #TheoreticalChemistry & #ComputationalChemistry across a suite of specialist journals: Journal of Chemical Theory & Computation, Journal of Chemical Information & Modeling, & Journal of Chemical & Engineering Data. Find out more: brnw.ch/21wEtxq
🧪 We are looking for #ComputationalChemistry experts for an exciting upcoming Prize Assignment! If you have #MolecularModeling, #QuantumChemistry, or simulations skills, join our problem solvers network and make an impact at bit.ly/4l1EI2X 🚀 #OpenInnovation
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…
Drs. Mike Reppert and Tanya Faltens will be giving a pre-conference talk on June 1, highlighting how #nanoHUB custom-built GUIs can support complex research workflows and make #computationalchemistry codes more accessible to students. Learn more purdue.edu/conferences/53… #MWTCC
🧪 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
youtube.com
YouTube
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
PhD Position: Accelerated Modeling of MOF Dynamics & Electrolyte Interactions with Machine Learning & Koopman Theory 📍Munich, Germany @TUM Apply now: researchhires.com/position/b8621… #PhD #MachineLearning #ComputationalChemistry #Electrochemistry #ResearchJobs #Hiring #Germany #TUM
🔬 NEW RESEARCH This DFT study shows how vitexin and isovitexin neutralize OOH radicals with different mechanisms in lipids vs water. Isovitexin is slightly more potent but both plausible. 📄 doi.org/10.1021/acs.jo… #Antioxidants #Flavonoids #ComputationalChemistry
pubs.acs.org
Antioxidant Power of Vitexin and Isovitexin Against OOH Radicals: A Comparative Theoretical...
The antioxidant activity of vitexin and isovitexin─flavonoids widely found in various plants and used in traditional medicine─has been theoretically evaluated against the OOH radical. Multiple...
Hot take: AI won’t kill force fields. It supercharges them. Use physics for insight, AI for speed/accuracy. Hybrid models = pragmatic path for generalization + trust. Working on this? Tell me what’s breaking or working. ⚗️🤖 #ComputationalChemistry idees.moleculair.es/aiforcefields
Our new paper in ChemElectroChem! It’s about the behavior of RuO2 under changing potentials and how doping influences its corrosion behavior under varying load conditions. doi.org/10.1002/celc.2… #Electrocatalysis #ComputationalChemistry #Corrosion #ComputationalMaterials
📖 You can read the full article here: 🔗 lnkd.in/dXV9NgGb #ComputationalChemistry #compchem #Photochemistry #OpenData #SustainableChemistry #ScientificData #Research
🤖 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 helps computational chemists store, manage, analyze, and share their data. 💾 Secure storage keeps all your results organized and safe for future projects. #ComputationalChemistry #DataManagement #ioChemNews
💡 Publish your data, increase the visibility of your work, and contribute to a more transparent scientific community! #OpenScience #FAIRdata #ComputationalChemistry #ioChemFAIR #DataSharing #Reproducibility
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
🤖 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
📢#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
💡 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
Organic Reaction Search Engine for Chemical Reactivity #chemistry #Bioinformatics #ComputationalChemistry #automation nature.com/articles/ncomm…
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
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science pubs.rsc.org/en/content/art………………… #chemistry #bioinformatics #ComputationalChemistry #DFTS
ioChem-BD has landed in Naples 🇮🇹 for EuCompChem! Excited to connect, share ideas & talk computational chemistry 🔬✨ #EuCompChem #IOChemBD #ComputationalChemistry
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
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
🏆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…
The computational road to reactivity scales - now published in Physical Chemistry Chemical Physics pubs.rsc.org/en/content/art………… #chemistry #bioinformatics #ComputationalChemistry #reactivity
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
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
（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
Join our upcoming live webinar: Exploring Computational Chemistry! #AYS #ComputationalChemistry #WebinarSeries
Here's my poster for #RSCPoster, where I used simple #ComputationalChemistry to help the understanding of characterisation of #LayeredMaterials. This approach may be used in #ChemicalEducation to teach #QuantumChemistry in solid-state chemistry
Shared our latest work regarding development of novel methods for Metaboinformatics at ML4Science conference. #DataScience #ComputationalChemistry #ProteinLigandinteraction @deva_priyakumar @lab_sengupta @IIITDelhi @iiit_hyderabad
⭐Calling for Papers⭐ 📚Computational Studies of Natural Products 👨🔬Guest Editor: Prof. Dr. Leonid B. Krivdin 🔗 Find Out More: mdpi.com/journal/ijms/s… ⏰Submission Deadline: 31 March 2026 #ComputationalChemistry #NaturalProducts #CallforPapers #OpenAccess #MDPIIJMS
Something went wrong.
Something went wrong.
United States Trends
- 1. #AskFFT N/A
- 2. StandX 1,694 posts
- 3. #sundayvibes 6,232 posts
- 4. Good Sunday 70.7K posts
- 5. Scott Adams 9,844 posts
- 6. Nigeria 926K posts
- 7. Full PPR 1,173 posts
- 8. #2YearsWithGolden 16.8K posts
- 9. #NicxStrava 2,647 posts
- 10. JUNGKOOK IS GOLDEN 18.7K posts
- 11. #NUFC 7,508 posts
- 12. West Ham 6,389 posts
- 13. Navy Federal N/A
- 14. Dowdle 1,727 posts
- 15. Carlos Manzo 485K posts
- 16. Bam Knight N/A
- 17. Newcastle 19.5K posts
- 18. Yura 10.4K posts
- 19. Dike 2,203 posts
- 20. Yankees 18.8K posts