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#computationalchemistry search results

miquelsola's profile picture. Theoretical and Computational Chemist, Universitat de Girona. Hobbies: tennis, biking, watching Girona FC & FC Barcelona matches...
Miquel Solà
 @miquelsola
Mar 15, 2024

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

miquelsola's tweet image. 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
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Chemistry_IITB's profile picture. Official Twitter Account of the Department of Chemistry, Indian Institute of Technology (IIT) Bombay @iitbombay
Department of Chemistry, IIT Bombay
 @Chemistry_IITB
Oct 9

🤖 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

Chemistry_IITB's tweet image. 🤖 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
Chemistry_IITB's tweet image. 🤖 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
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ioChem_BD's profile picture. Solution to manage computational chemistry Big Data RES project with ref. DATA-2020-1-0016 ioChem-BD European Research Council project Ref. ERC-2015-PoC_680900
ioChem-BD
 @ioChem_BD
Oct 13

💡 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

ioChem_BD's tweet image. 💡 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
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ioChem_BD's profile picture. Solution to manage computational chemistry Big Data RES project with ref. DATA-2020-1-0016 ioChem-BD European Research Council project Ref. ERC-2015-PoC_680900
ioChem-BD
 @ioChem_BD
Sep 16

ioChem-BD has landed in Naples 🇮🇹 for EuCompChem! Excited to connect, share ideas & talk computational chemistry 🔬✨ #EuCompChem #IOChemBD #ComputationalChemistry

ioChem_BD's tweet image. ioChem-BD has landed in Naples 🇮🇹 for EuCompChem! Excited to connect, share ideas & talk computational chemistry 🔬✨ #EuCompChem #IOChemBD #ComputationalChemistry
ioChem_BD's tweet image. ioChem-BD has landed in Naples 🇮🇹 for EuCompChem! Excited to connect, share ideas & talk computational chemistry 🔬✨ #EuCompChem #IOChemBD #ComputationalChemistry
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PaolaPoso's profile picture. Associate Professor @UniTrieste, working on supramolecular and nanomaterials. Head of SMALL Lab 💻. Nordic design addicted, nordic walker, rower (beginner).
Paola Posocco
 @PaolaPoso
Sep 30, 2023

📢#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

PaolaPoso's tweet image. 📢#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
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biOrbic_centre's profile picture. Ireland's National Bioeconomy Research Centre. Funded by @Researchirel #irishbioeconomy
BiOrbic Research Ireland Centre for Bioeconomy
 @biOrbic_centre
Jun 5, 2023

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

biOrbic_centre's tweet image. 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
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NECLabsEU's profile picture. We develop cutting-edge #technology across #AI, #6G, #digitalhealth and #security to solve society's biggest challenges.
NEC Laboratories Europe
 @NECLabsEU
Oct 13, 2023

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

NECLabsEU's tweet image. 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
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QCWare's profile picture. Enterprise Software and Services for #QuantumComputing https://t.co/KfYEuNo2U5 https://t.co/NknCmffrc7 https://t.co/Cu97MEoZhl
QC Ware
 @QCWare
Oct 5, 2023

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!

QCWare's tweet image. 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!
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ChemistryViews's profile picture. https://t.co/ifdWjQOYNg is the science magazine of @ChemEurope 🇪🇺 🦆 #chemquackers 👩‍🔬 #guessthechemist Impressum: https://t.co/qTsQxDz0Jj
ChemistryViews
 @ChemistryViews
Sep 2, 2024

🏆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…

ChemistryViews's tweet image. 🏆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…
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QCWare's profile picture. Enterprise Software and Services for #QuantumComputing https://t.co/KfYEuNo2U5 https://t.co/NknCmffrc7 https://t.co/Cu97MEoZhl
QC Ware
 @QCWare
Oct 16, 2023

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

QCWare's tweet image. 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
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wgnrstfn's profile picture. I am interested in Innovation and Strategy. Professor @univienna.
Stefan Wagner
 @wgnrstfn
Jan 19, 2024

🖥🧬💊 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…

wgnrstfn's tweet image. 🖥🧬💊 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…
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BeilsteinInst's profile picture. Non-profit foundation for the promotion of the chemical sciences. Publisher of Beilstein Journal of Organic Chemistry and Beilstein Journal of Nanotechnology
Beilstein-Institut @beilstein-institut.bsky.social
 @BeilsteinInst
Nov 28

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

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AmerChemSociety's profile picture. The American Chemical Society is one of the world’s largest scientific societies and a leading source of authoritative scientific info.
American Chemical Society
 @AmerChemSociety
Nov 15, 2023

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

AmerChemSociety's tweet image. 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
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innocentive_'s profile picture. Our world-leading open talent community, home to millions of engaged and brilliant problem solvers. Previously @WazokuCrowd.
Innocentive
 @innocentive_
Mar 21

🧪 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

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whmaria6's profile picture. PhD student 👩🏾‍🎓 ⚡️🧬💻
Juliana Cuéllar-Zuquin
 @whmaria6
May 10, 2024

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

whmaria6's tweet image. 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
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SandboxAQ's profile picture. Leveraging AQ - the powerful compound effects of AI + Quantum technology
SandboxAQ
@SandboxAQ
Jul 23, 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…

SandboxAQ's tweet image. 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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BioChemCalc's profile picture. Principia with Precision
BioChemCalc
 @BioChemCalc
21 h

🎯 Struktur- und Eigenschaftsanalyse in einem Schritt: cLogP, Molekulargewicht, Exakte Masse, TPSA. Einfach SMILES einfügen, fertig. ➡ biochemcalc.com/sfd_m?referrer…. #DrugDesign #ComputationalChemistry #MolecularAnalysis

BioChemCalc's tweet image. 🎯 Struktur- und Eigenschaftsanalyse in einem Schritt: cLogP, Molekulargewicht, Exakte Masse, TPSA. Einfach SMILES einfügen, fertig. ➡ biochemcalc.com/sfd_m?referrer…. #DrugDesign #ComputationalChemistry #MolecularAnalysis
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ComputationMDPI's profile picture. Computation (ISSN 2079-3197) is an #openaccess journal of computational biology, chemistry, and engineering; covered by #WoS and #Scopus. #mdpicomputation
Computation MDPI
 @ComputationMDPI
Oct 30

🧪 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

ComputationMDPI's tweet image. 🧪 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
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aolgac_evias's profile picture.
Abdurrahman Olğaç
 @aolgac_evias
Oct 29

🎉 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

aolgac_evias's tweet card. Integrative Computational Approaches for Multi-Target Drug Discovery...

youtube.com

YouTube

Integrative Computational Approaches for Multi-Target Drug Discovery...

Source: youtube.com
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gayun0525's profile picture. 낭랑17세 여고생/한가라미언
정민π²
 @gayun0525
Oct 28

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

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ComputationMDPI's profile picture. Computation (ISSN 2079-3197) is an #openaccess journal of computational biology, chemistry, and engineering; covered by #WoS and #Scopus. #mdpicomputation
Computation MDPI
 @ComputationMDPI
Oct 30

🧪 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

ComputationMDPI's tweet image. 🧪 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
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InsuffKnower's profile picture. Study hard what interests you the most in the most undisciplined, irreverent and original manner possible. - Richardfeynman
Nohil
 @InsuffKnower
Oct 31

linkedin.com/posts/nohil-ko… Kodiyatar, N. (2025). AI-Assisted Computational Spectroscopy: Bridging Data Interpretation and Molecular Discovery. Zenodo. doi.org/10.5281/zenodo… #AI #Spectroscopy #ComputationalChemistry #QuantumChemistry #MolecularDiscovery #ScientificInnovation

InsuffKnower's tweet image. linkedin.com/posts/nohil-ko… Kodiyatar, N. (2025). AI-Assisted Computational Spectroscopy: Bridging Data Interpretation and Molecular Discovery. Zenodo. doi.org/10.5281/zenodo… #AI #Spectroscopy #ComputationalChemistry #QuantumChemistry #MolecularDiscovery #ScientificInnovation
InsuffKnower's tweet image. linkedin.com/posts/nohil-ko… Kodiyatar, N. (2025). AI-Assisted Computational Spectroscopy: Bridging Data Interpretation and Molecular Discovery. Zenodo. doi.org/10.5281/zenodo… #AI #Spectroscopy #ComputationalChemistry #QuantumChemistry #MolecularDiscovery #ScientificInnovation
InsuffKnower's tweet image. linkedin.com/posts/nohil-ko… Kodiyatar, N. (2025). AI-Assisted Computational Spectroscopy: Bridging Data Interpretation and Molecular Discovery. Zenodo. doi.org/10.5281/zenodo… #AI #Spectroscopy #ComputationalChemistry #QuantumChemistry #MolecularDiscovery #ScientificInnovation
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BioChemCalc's profile picture. Principia with Precision
BioChemCalc
 @BioChemCalc
21 h

🎯 Struktur- und Eigenschaftsanalyse in einem Schritt: cLogP, Molekulargewicht, Exakte Masse, TPSA. Einfach SMILES einfügen, fertig. ➡ biochemcalc.com/sfd_m?referrer…. #DrugDesign #ComputationalChemistry #MolecularAnalysis

BioChemCalc's tweet image. 🎯 Struktur- und Eigenschaftsanalyse in einem Schritt: cLogP, Molekulargewicht, Exakte Masse, TPSA. Einfach SMILES einfügen, fertig. ➡ biochemcalc.com/sfd_m?referrer…. #DrugDesign #ComputationalChemistry #MolecularAnalysis
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