478 citations · 2.2k across the 25 of their papers we have counts for
25 papers
Self-Assembly and Phase Behavior of Janus Rods: Competition Between Shape and Potential Anisotropy
Jared A. Wood, Laura Dal Compare, Lillian Pearse +5
We characterize the self-assembly and phase behavior of Janus rods over a broad range of temperatures and volume fractions, using Langevin dynamics simulations and free energy calc…
Evaluation of the AMOEBA force field for simulating metal halide perovskites in the solid state and in solution
P. V. G. M. Rathnayake, Stefano Bernardi, Asaph Widmer-Cooper
In this work, we compare existing non-polarizable force fields developed to study the solid or solution phases of hybrid organic-inorganic halide perovskites with the AMOEBA polari…
When Like Destabilizes Like: Inverted Solvent Effects in Apolar Nanoparticle Dispersions
Debora Monego, Thomas Kister, Nicholas Kirkwood +4
We report on the colloidal stability of nanoparticles with alkanethiol shells in apolar solvents. Small angle X-ray scattering and molecular dynamics simulations were used to chara…
Janus helices: From fully attractive to hard helices
Laura Dal Compare, Flavio Romano, Jared A. Wood +2
The phase diagram of hard helices differs from its hard rods counterpart by the presence of chiral "screw" phases stemming from the characteristic helical shape, in addition to the…
Ligand-Induced Incompatible Curvatures Control Ultrathin Nanoplatelet Polymorphism and Chirality
Debora Monego, Sarit Dutta, Doron Grossman +7
The ability of thin materials to shape-shift is a common occurrence that leads to dynamic pattern formation and function in natural and man-made structures. However, harnessing thi…
Remembering the work of Phillip L. Geissler: A coda to his scientific trajectory
Gregory R. Bowman, Stephen J. Cox, Christoph Dellago +19
Phillip L. Geissler made important contributions to the statistical mechanics of biological polymers, heterogeneous materials, and chemical dynamics in aqueous environments. He dev…