Konstantinos Vogiatzis's profile

Konstantinos Vogiatzis

Principal Investigator

University of Tennessee, Knoxville

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8 months ago

Computational Chemistry, Materials Informatics, Chemical Separations

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I integrate quantum chemistry, molecular simulation and machine learning to design and screen materials for chemical separations, including carbon capture and radionuclide extraction. Work spans active learning, multifidelity models, and computation‑ready MOF datasets.

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University of Tennessee, Knoxville

Machine Learning Interatomic Potentials for Transition Metal Complexes

Machine learning interatomic potentials (MLIPs) have emerged as powerful tools for accelerating atomistic simulations. We have developed data-driven quantum chemistry (DDQC) models that integrate high-level electronic st...

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Konstantinos Vogiatzis

Principal Investigator

University of Tennessee, Knoxville

Work experience

University of Tennessee, Knoxville

Principal Investigator

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