Events in physical chemistry.

Energy landscapes: from molecules and nanodevices to machine learning

The potential energy landscape provides a conceptual and computational framework for 

investigating structure, dynamics and thermodynamics in atomic and molecular science.

This talk will summarise new approaches for global optimisation, quantum dynamics,

the thermodynamic properties of systems exhibiting broken ergodicity, and rare

event dynamics. Applications will be presented that range from prediction and

analysis of high-resolution spectra, to coarse-grained models and design principles 

Vibrational Probe Pairs for Uncovering Structure and Dynamics within Biomolecules

2D IR spectroscopy has been utilized to directly observe of conformational dynamics of biological systems for both equilibrium and non-equilibrium pathways. Observing specific structural changes associated of active biomolecules provides insights into the molecular movements leading to their functionality. Well-positioned probe pairs provide structural information while simultaneously detecting the dynamics in the region where biological function takes place.


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