@VogLab profile picture
Kostas Vogiatzis @VogLab

A story of chemistry and math, reactivity and noncovalency, birth and persistence.

Joined April 2016
  • Tweets 562
  • Following 523
  • Followers 789
95 Photos and videos
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
1
2
23
1,717
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
J. Am. Chem. Soc.@J_A_C_S
Feb 21
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…
1
3
341
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!

Accurate Helium-Benzene Potential: from CCSD(T) to Gaussian...

The accurate modeling of non-covalent interactions between helium and graphitic materials is important for understanding quantum phenomena in reduced dimensions, with the helium-benzene complex...

arxiv.org
3
99
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

DDCCNet: Physics-enhanced Multitask Neural Networks for...

We present the data-driven coupled-cluster deep network (DDCCNet), a family of multitask, physics-enhanced deep learning architectures designed to predict coupled-cluster singles and doubles...

arxiv.org
2
80
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
4
123
We are in the 3rd day of the 3rd SMLQC! We had already 15 invites lectures, and 50 poster presentations, plus an inspirational banquet lecture from Dr. David Sholl on the future of computational chemistry in the era of AI. #AI #compchem #ML
6
223
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
1
186
Kostas Vogiatzis retweeted
UTK CHEMISTRY@CHEMISTRYUTK
4 Sep 2025
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.
UT Arts & Sciences@ArtsSciencesUT
4 Sep 2025
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
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 a modern multi-story building with red brick and large windows, surrounded by landscaped areas and situated beside a street with parking spaces.

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 of a modern building lobby with elevators to the right. This features a sleek design with individuals seated and standing, engaged in various activities.

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."

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."
2
2
340
Kostas Vogiatzis retweeted
UTK CHEMISTRY@CHEMISTRYUTK
25 Aug 2025
There's still time to attend SMLQC 2025! Register today at smlqc2025.com/.
1
1
153
Kostas Vogiatzis retweeted
Dimitris Papailiopoulos
@DimitrisPapail
7 Aug 2025
Unbelievable that this is the loss we are optimizing for "intelligence".
36
52
973
88,013
🕊️ 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
1
8
670
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
12
490
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
5
13
917
"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! 🎉🎉🎉
7
401
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! 🧪 🖥️ ⚛️ 🤖
11
539
Kostas Vogiatzis retweeted
Manuel A. Ortuño@ChemOrtuno
2 Dec 2024
Interested in doing a PhD/Postdoc in #compchem in Spain? Come and join us! Applications for regional funding are already open (see details below):
3
31
156
15,413
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.
5
435
Kostas Vogiatzis retweeted
The Nobel Prize
@NobelPrize
8 Oct 2024
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.”
979
13,042
32,145
12,690,932
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
2
4
715
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
10
26
4,115
Load more