My research is inspired by the beauty of Nature, the symmetry of its structures and the irreversibie, away-from-equilbrium nature of its dynamics. I am curious of what might drive many fascinating, yet not well understood, phenomena occuring at atomic, molecular and mesocopic scales, from which to create useful materials and devices for future generations.

My current interests include (1) discovering design rules for assembling functional nanostructures from bottom up using statistical mechanics, molecular simulation and machine learning, (2) developing physical models and algorithms for insightful understanding of molecular systems with long-range interactions, and (3) exploring strategies for accelerated sampling in molecular simulation codes for hybrid computer platforms including distributed-memory clusters and graphics processing units (GPUs).

I find it extremely exciting that I can use a combination of soft condensed matter physics, molecular simulation, data mining and scientific computing for the problems I am interested in. 

Contact | CV | ResearcherID
ndactrung at gmail dot com

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Research snapshots

I created the above pictures based on the simulation results from my research: (from left to right) supraparticles from polydisperse nanoparticles, protein-nanoparticle terminal clusters, bottle-brush charged polymers between two surfaces, and a protein-random copolymer complex. While none of these made the journal covers, they are among my favorites. All the images were generated using VMD and Tachyon.