20072020

Research output per year

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Personal profile

Research interests

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.

Structured keywords and research groupings

  • BcompB

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Projects

Research Output

Interactive molecular dynamics in virtual reality for accurate flexible protein-ligand docking

Deeks, H. M., Walters, R. K., Hare, S. R., O’Connor, M. B., Mulholland, A. J. & Glowacki, D. R., 11 Mar 2020, In : PLoS ONE. 15, 3, 21 p., e0228461.

Research output: Contribution to journalArticle (Academic Journal)

Open Access
File
  • 30 Downloads (Pure)

    Isness: Using Multi-Person VR to Design Peak Mystical-Type Experiences Comparable to Psychedelics

    Glowacki, D. R., Wonnacott, M. D., Freire, R., Glowacki, B. R., Gale, E. M., Pike, J. E., Haan, T. D., Chatziapostolou, M. & Metatla, O., 1 Apr 2020, Proceedings of ACM Conference on Human Factors in Computing System. Association for Computing Machinery (ACM), p. 1-14 14 p. (CHI '20: Extended Abstracts of the 2020 CHI Conference on Human Factors in Computing Systems).

    Research output: Chapter in Book/Report/Conference proceedingConference Contribution (Conference Proceeding)

    Open Access
    File
  • 9 Downloads (Pure)

    Isness: Using Multi-Person VR to Design Peak Mystical Type Experiences Comparable to Psychedelics

    Glowacki, D. R., Wonnacott, M., Freire, R., Glowacki, R., Gale, E. M., Pike, J., de Haan, T., Chatziapostolou, M. & Metatla, O., 2020.

    Research output: Contribution to conferenceConference Paper

  • Datasets

    Data from CHAMPS (02-2018)

    Glowacki, D. R. (Creator), Wiggins, S. R. (Creator), Carpenter, B. (Creator), Shalashilin, D. (Creator), Holm, D. (Creator), Katsanikas, M. (Creator), Bratholm, L. A. (Creator), Krajnak, V. (Creator), Garcia-Meseguer, R. (Creator), Makhov, D. (Creator) & Carpenter, B. (Creator), University of Bristol, 14 Feb 2018

    Dataset

    Activities

    • 1 Fellowship awarded competitively
    • 1 Visiting an external academic institution

    Stanford University

    David R Glowacki (Visitor)

    20132014

    Activity: Visiting an external institution typesVisiting an external academic institution

    University Research Fellowship - Beyond equilibrium: ultrafast solution-phase dynamics and enzyme catalysis.

    David R Glowacki (Recipient)

    1 Oct 20131 Oct 2018

    Activity: Other activity typesFellowship awarded competitively

    Supervised Work

    Accelerated Sampling Methods for High Dimensional Molecular Systems

    Author: O'Connor, M., 7 May 2019

    Supervisor: Glowacki, D. (Supervisor) & McIntosh-Smith, S. (Supervisor)

    Student thesis: Doctoral ThesisDoctor of Philosophy (PhD)

    File

    Causes, Magnitudes and Atmospheric Implications of Kinetically Limited Diffusion in Organic Aerosol

    Author: Ingram, S. T., 6 Dec 2019

    Supervisor: Reid, J. P. (Supervisor) & Glowacki, D. R. (Supervisor)

    Student thesis: Doctoral ThesisDoctor of Philosophy (PhD)

    File