Computational and theoretical chemistry

This class comprises research and experimental development in computational and theoretical chemistry.

Parent Category

Sub-Categories

O

Ortner, Christoph

Department of Mathematics, Faculty of Science

Faculty (G+PS eligible/member)

Numerical analysis; Mathematical modelling and simulation; Partial and ordinary differential equations; Computational chemistry; Condensed matter modelling and density functional theory; Numerical modelling and mechanical characterisation; Numerical Analysis & Scientific Computing; Applied Analysis; Multi-scale Modelling and Coarse-graining; Molecular Simulation; Scientific Machine-learning, in particular for applications in multi-scale modelling

S

Speak, Thomas

Faculty of Science

Postdoctoral Fellow

Astrochemistry; Development and applications of spectroscopic and structural techniques; Reaction kinetics and dynamics; Chemical thermodynamics and energetics; Computational chemistry; atmospheric chemistry; combustion chemistry; astrochemistry; origins of life; reaction kinetics; energetic materials

French Name

Chimie computationnelle et théorique

French Description

Cette classe comprend la recherche et le développement expérimental en chimie computationnelle et théorique.