My leading project focuses on investigating dynamically-induced chirality in the gas phase molecules. With high-accuracy first-principles simulations of rotational-vibrational dynamics I am developing procedures for creating, manipulating and detecting dynamic chirality.

My research interests range from the nuclear motion theory of electronic excited states, through quantum electrodynamics of ultra-cold molecules, to fundamental concepts such as the geometric phase in Quantum Mechanics. My past projects focused on method development in quantum dynamics of molecules, including developing collocation methods for high accuracy calculations of vibrational and ro-vibrational spectra of molecules with 4-12 atoms.

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Last Update: 19 Oct 2019


Nuclear motion theory

Theoretical rotational-vibrational spectroscopy of small molecules. See our group website: ExoMol

Non-adiabatic effects in molecular dynamics

Jahn-Teller and Pseudo-Jahn-Teller models, dynamics in vicinity of conical intersections, ro-vibronic transitions

Molecules in external fields

Light induced potentials, Laser control of molecular motions, non-resonant excitation schemes, differentiation of chiral molecules, Stark cooling, cavity QED, optimal control theory

Geometric Phases in Quantum Mechanics

Is the Berry Phase an artifact of the Born-Oppenheimer approximation?

Computational methods for computing ro-vibrational spectra of medium-sized molecules

Neural networks in nuclear dynamics, collocation methods.

Mathematical models for social dynamics

Theories for dynamics of human behaviour, traffic optimization.

© 2019 by Emil Zak.

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