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Dr David Glowacki

Computational Science

My publications reflect my diverse interests:

(1) Computational simulation of classical and quantum molecular dynamics. Going all the way back to its roots in alchemy, chemistry is a science of transformation. And transformation is driven by chemical reactions, where rearrangment of atomic nuclei and electrons incorporates aspects of both classical and quantum mechanics. We try to better understand chemical and molecular dynamics by developing and applying computational tools for application to environmental and biological systems.

(2) Non-equilibrium statistical mechanics & energy transfer. The modern view of chemical transformation is that reactions occur on so-called 'energy landscapes', which are similar to the landscapes that you experience walking through the mountains. Molecular change requires energy so that molecules can mount hills and cross valleys. I work to understand the microphysics of molecular energy transfer: How do molecules acquire energy from their surroundings? And how do they utilise the energy they acquire?

(3) High Performance Computing & Human Computer Interaction. Modern science is increasingly reliant on computation, for number crunching and visualization. Rapid advances in computer science enable new approaches to scientific computing, and new forms of human-computer interaction. We work to develop algorithms for exploiting massively parallel modern computing architectures and new interaction technologies, including GPU acceleration, multi-core approaches, computer vision, and virtual reality.

(4) Scientific imagination and aesthetic representation. Much of modern scientific practice aims to understand and manipulate the invisible world. Representing and imagining the invisible requires aesthetic decisions, where progress requires working on the frontiers of scientific imagination and artistic representation. The aesthetic experiences produced by my group have been experienced by over 200,000 people across the Europe, Asia, and North America.