NVIDIAGPUResearchCenter

Designing Materials

Digital Alchemy for Materials Design: Colloids and Beyond,
ACS Nano 9(10), 9542-9553 (2015).

Modeling Structures from Shapes

amir-tetra

Self-assembly of a space-tessellating structure in the binary system of hard tetrahedra and octahedra,
Soft Matter 12 (34), 7073-7078 (2016).

Using depletion to control colloidal crystal assemblies of hard cuboctahedra,
Soft Matter 12, 5199-5204 (2016).

Clusters of polyhedra in spherical confinement,
Proceedings of the National Academy of Sciences 113(6), E669-E678 (2016).

Effect of shape on the self-assembly of faceted patchy nanoplates with irregular shape into tiling patterns,
Soft Matter 11(7), 1386-1396 (2015).

Shape allophiles improve entropic assembly,
Soft Matter 11(37), 7250-7256 (2015).

Rational design of nanomaterials from assembly and reconfigurability of polymer-tethered nanoparticles,
MRS Communications 5(03), 397-406 (2015).

Symmetry Considerations for the Targeted Assembly of Entropically Stabilized Colloidal Crystals via Voronoi Particles,
ACS Nano 9(3), 2336-2344 (2015).

Controlling Chirality of Entropic Crystals,
Physical Review Letters 115(15), 158303 (2015).

Active Matter

Tunable emergent structures and traveling waves in mixtures of passive and contact-triggered-active particles,
Soft Matter 11, Advance Article (2017).

Curvature-induced microswarming,
Soft Matter 13, 5117-5121 (2017).

Shape control and compartmentalization in active colloidal cells,
Proceedings of the National Academy of Sciences 112(34), E4642–E4650 (2015).

Phase Transitions

2D:
Shape and Symmetry Determine Two-Dimensional Melting Transitions of Hard Regular Polygons,
Phys. Rev. X 7, 021001 (2017).

3D:
Shape-driven solid–solid transitions in colloids,
Proc. Natl. Acad. Sci. USA 114 (20), E3892–E3899 (2017)

Modeling Experimental System

Simulation Methods

GPU accelerated Discrete Element Method (DEM) Molecular Dynamics,
Journal of Computational Physics 344, 460-467 (2017).

Scalable Metropolis Monte Carlo for simulation of hard shapes,
Computer Physics Communications 204, 21-30 (2016).

A parallel algorithm for implicit depletant simulations,
The Journal of Chemical Physics 143(184110), 184110 (2015).

Strong scaling of general-purpose molecular dynamics simulations on GPUs,
Computer Physics Communications 192, 97-107 (2015).