Konstantinos D Vogiatzis

41PUBLICATIONS
70CO-AUTHORS
Computational chemistryData structures and algorithmsTransition metal chemistryMetal organic frameworksTheoretical quantum chemistry
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Publications (41)

|Aug 04, 2026
Integrating Coupled-Cluster Theory Within AI Workflows for Accurate Molecular Geometries.

|Jul 20, 2026
DDCCNet: Physics-Enhanced Multitask Neural Networks for Data-Driven Coupled-Cluster.

|Jul 10, 2026
Late transition metal complexes supported by an 18-atom benzimidazolylidene tetracarbene macrocycle.

|Apr 07, 2026
Reaction channels of iron-oxo and iron-imido molecular intermediates.

Thomas D Jones, Henry R Brothers, Elokkin K Pate-Geames

|Mar 18, 2026
Accurate helium-benzene potential: From CCSD(T) to Gaussian process regression.

Shahzad Akram, Sutirtha Paul, Collin Kovacs

|Feb 20, 2026
Boosting Computational Catalysis and Chemical Reactivity with Artificial Intelligence.

Konstantinos D Vogiatzis, Clémence Corminboeuf, Ainara Nova

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Frequent Collaborators

3 joint publications

Jianbing Jimmy Jiang

3 joint publications

David M Jenkins

3 joint publications

Brett A Smith

3 joint publications

Gregory S Girolami