Fundamentals and methods
Potential energy landscape exploration
The slow dynamics of a glass is a sequence of jumps between minima of its potential energy surface. Methods are developed to locate these minima and the transitions connecting them, and to follow how a glassy polymer moves among them as it is deformed.
Publications
Publications related to this direction, newest first; key papers are tagged. The complete list is on the Publications page.
2022
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Response of Elementary Structural Transitions in Glassy Atactic Polystyrene to Temperature and Deformation
The Journal of Physical Chemistry B, 126, 7731-7744 · doi:10.1021/acs.jpcb.2c04199
2021
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Structural Transitions in Glassy Atactic Polystyrene Using Transition-State Theory Key paper
The Journal of Physical Chemistry B, 125, 7273-7289 · doi:10.1021/acs.jpcb.1c02618
2013
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Tracking a glassy polymer on its energy landscape in the course of elastic deformation Key paper
Molecular Physics, 111, 3430-3441 · doi:10.1080/00268976.2013.825018
All research directions
Fundamentals and methods