A story of chemistry and math, reactivity and noncovalency, birth and persistence.
Knoxville, TN
Joined April 2016
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And we are on the cover of JACS!!! Check our recent perspective on AI/ML for chemical reactivity and catalysis:
doi.org/10.1021/jacs.5c17786
@ACSPublications #MyACSCover #Compchem #MachineLearning #RealTimeChem #Cheminformatics
We are very excited to share our new perspective article on AI for chemical reactivity and catalysis, available now in JACS! This is the outcome of a wonderful discussion with experts in this field #Compchem #MachineLearning #RealTimeChem #Cheminformatics
Boosting Computational Catalysis and Chemical Reactivity with Artificial Intelligence | Journal of the American Chemical Society @EPFL @ETH @ETH_DCHAB @UTKnoxvilleNews @UTKnoxville pubs.acs.org/doi/10.1021/jac…
3️⃣What a January —a triple milestone from our lab! 3/3
Multifidelity GPR PES for He–benzene, enabling reliable PIMC simulations and revealing new helium solvation behavior.
🔗 arxiv.org/abs/2601.02166
#AIforScience #compchem #machinelearning
An energizing start to the year!
2️⃣What a January — a triple milestone from our lab! 2/3
We report our strongest results yet for data-driven coupled-cluster (DDCCNet), achieving significant accuracy and robustness
🔗 arxiv.org/abs/2601.14073
#AIforScience #compchem #machinelearning
1️⃣What a January — a triple milestone from our lab! 1/3
“Boosting Computational Catalysis and Chemical Reactivity with AI” is accepted in JACS. We discuss how AI/ML, from MLIPs to generative AI, reshape computational catalysis
#AIforScience #compchem #machinelearning #Catalysis
Less than a month till the kickoff of the 3rd Intl Symposium on ML in Quantum Chemistry (SMLQC), Oct 5–7. We have 100+ participants, so secure your spot now! More info: smlqc2025.com #ML #QuantumChem #CompChem #ML4Chem #ChemInformatics #ChemML #ML4Science #MLInChemistry
Kostas Vogiatzis retweeted
We are so thrilled to break ground on our new building tomorrow. Please join us as we take the next step in the future of chemistry at UT.
Join us as we break ground on our new @CHEMISTRYUTK building tomorrow at 3:30 p.m. at the corner of Cumberland and 16th!
Learn more about the future of chemistry at UT: chem.utk.edu/the-future-of-c…
#UTArtSci #CASAdvantage
ALT Architectural rendering of a modern multi-story building with red brick and large windows, surrounded by landscaped areas and situated beside a street with parking spaces.
ALT Architectural rendering of the interior of a modern building lobby with elevators to the right. This features a sleek design with individuals seated and standing, engaged in various activities.
ALT Architectural rendering of the interior view of a bright, modern office and lab corridor with individuals working at desks and walking. Features large windows, minimalist furniture, and a prominent orange wall labeled 'Lab."
Kostas Vogiatzis retweeted
There's still time to attend SMLQC 2025! Register today at smlqc2025.com/.
🕊️ Early Bird ends Aug 15!
Join us at the 3rd Intl Symposium on Machine Learning in Quantum Chemistry (SMLQC), Oct 5–7.
Discounted accommodation now available!
Info: smlqc2025.com
#ML #QuantumChem #CompChem #ML4Chem #ChemInformatics #ChemML #ML4Science #MLInChemistry
Check our recent article (Design of CO2-philic Molecular Units with LLMs), now accepted in ChemComm. This human-in-the-loop approach showcases the synergy between AI and chemical expertise for molecular discovery. #compchem @CHEMISTRYUTK
doi.org/10.1039/D5CC02652K
Announcing the 3rd Int’l Symposium on Machine Learning in Quantum Chemistry (SMLQC), Oct 5–7 @ Univ. of Tennessee! 25 speakers, 5 themes, poster session, < $200 reg. Early bird ends Aug 15. Join us in Knoxville!
🔗 smlqc2025.com
#SMLQC #compchem
"UT Knoxville Chemistry Building– A $165.2 million state investment will modernize critical lab spaces[...]. This is the largest state investment ever awarded for a single higher education project in Tennessee’s history." @CHEMISTRYUTK
It's happening! 🎉🎉🎉
VogLab’s Holiday party for 2024! Thank you all, current and former students that you are part of our strong team, for this wonderful year that it’s coming soon to an end. I’m excited for your next academic and scientific journeys!
🧪 🖥️ ⚛️ 🤖
Kostas Vogiatzis retweeted
Interested in doing a PhD/Postdoc in #compchem in Spain? Come and join us!
Applications for regional funding are already open (see details below):
Two Nobel prizes on AI-related scientific topics during the same week!!! It’s not the “rise of the machines”, it’s the recognition of the developers of these computational tools that help us solve complex problems.
Kostas Vogiatzis retweeted
BREAKING NEWS
The Royal Swedish Academy of Sciences has decided to award the 2024 #NobelPrize in Physics to John J. Hopfield and Geoffrey E. Hinton “for foundational discoveries and inventions that enable machine learning with artificial neural networks.”
Short extension for the tenure-track Assistant Professor position for Chemistry-Informed AI at the University of Tennessee (apply.interfolio.com/148822).
Review of applications will begin on September 23.
research.utk.edu/cluster-hir…
#chemjobs #facultychemjobs
Tenure-track Assistant Professor position for Chemistry-Informed Artificial Intelligence. If your work aligns with ML, chemoinformatics, or AI in chemistry, please check this job opportunity: apply.interfolio.com/148822
Please consider sharing this post.
#chemjobs #facultychemjobs
