Seminar of Dr. Valentin Vassilev, new incorporation to IMDEA Materials, entitled “In quest of accurate modelling of complex potential-energy surfaces: a Computational Chemistry and Machine Learning approach” – January 20th, 2023.
Abstract: Accurate modelling of chemical and physical interactions is crucial for obtaining thermodynamic and dynamical properties of any chemical system, enabling a myriad of possible applications. Many of these applications are computationally prohibitive when using advanced Computational Chemistry (CompChem) methods