Using human energy fields to sculpt real-time molecular dynamics

Glowacki, David; Tew, Phillip; Hyde, Joseph; Kriefman, Laura; Mitchell, Thomas; Price, James; McIntosh-Smith, Simon

Abstract

Chemistry has historically placed a great deal of emphasis on “structure function” relationships, where a molecule’s function and associated properties are understood with reference to how its atoms are arranged. However, the way we imagine molecules is evolving toward a dynamic and time dependent perspective, where molecular function is increasingly recognized to depend on how molecules change. Within this framework, molecular systems are characterized by dynamical complexity, involving chaotic fluctuations, coupled vibrations, and instability.
In this article, we describe danceroom Spectroscopy (dS) – a recent attempt to construct a system that allows people to interactively manipulate a molecular dynamics simulation. Adapted from algorithms commonly used to simulate molecular dynamics (MD), dS interprets people’s movements as perturbations within a virtual energy field, and embeds them within a real-time molecular simulation, where their movement sculpts the atomic dynamics. Using methods from molecular vibrational spectroscopy, dS is able to detect whether human motion gives rise to coherent structure within the atomic dynamics, and turn this into real-time soundscapes. The result is a real-time immersive and interactive audiovisual molecular dynamics experience for an arbitrary number of users, which doubles as both a scientific simulation, and an aesthetic tool.

• Publication Date: Sep 1, 2013
• Peer Reviewed: Peer Reviewed
• Book Title: Molecular Aesthetics
• ISBN: 9780262018784
• Keywords: human energy, real-time, molecular dynamics
• Public URL: https://uwe-repository.worktribe.com/output/928319
• Publisher URL: https://mitpress.mit.edu/books/molecular-aesthetics