Self-assembly of colloidal nanocrystals: from intricate structures to functional materials
Chemical methods developed over the past two decades enable preparation of colloidal
nanocrystals with uniform size and shape. These Brownian objects readily order into …
nanocrystals with uniform size and shape. These Brownian objects readily order into …
Colloidal hard spheres: Triumphs, challenges, and mysteries
The simplicity of hard spheres as a model system is deceptive. Although the particles
interact solely through volume exclusion, that nevertheless suffices for a wealth of static and …
interact solely through volume exclusion, that nevertheless suffices for a wealth of static and …
Calculating the binding free energies of charged species based on explicit-solvent simulations employing lattice-sum methods: An accurate correction scheme for …
The calculation of a protein-ligand binding free energy based on molecular dynamics (MD)
simulations generally relies on a thermodynamic cycle in which the ligand is alchemically …
simulations generally relies on a thermodynamic cycle in which the ligand is alchemically …
Exact hamiltonian monte carlo for truncated multivariate gaussians
We present a Hamiltonian Monte Carlo algorithm to sample from multivariate Gaussian
distributions in which the target space is constrained by linear and quadratic inequalities or …
distributions in which the target space is constrained by linear and quadratic inequalities or …
Rejection-free Monte Carlo sampling for general potentials
A Monte Carlo method to sample the classical configurational canonical ensemble is
introduced. In contrast to the Metropolis algorithm, where trial moves can be rejected, in this …
introduced. In contrast to the Metropolis algorithm, where trial moves can be rejected, in this …
Nonclassical nucleation pathways in stacking-disordered crystals
The nucleation of crystals from liquid melt is often characterized by a competition between
different crystalline structures or polymorphs and can result in nuclei with heterogeneous …
different crystalline structures or polymorphs and can result in nuclei with heterogeneous …
Glass forming ability in systems with competing orderings
Some liquids, if cooled rapidly enough to avoid crystallization, can be frozen into a
nonergodic glassy state. The tendency for a material to form a glass when quenched is …
nonergodic glassy state. The tendency for a material to form a glass when quenched is …
Thermodynamic and dynamical properties of the hard sphere system revisited by molecular dynamics simulation
Revised thermodynamic and dynamical properties of the hard sphere (HS) system are
obtained from extensive molecular dynamics calculations carried out with large system sizes …
obtained from extensive molecular dynamics calculations carried out with large system sizes …
Local structure in deeply supercooled liquids exhibits growing lengthscales and dynamical correlations
Glasses are among the most widely used of everyday materials, yet the process by which a
liquid's viscosity increases by 14 decades to become a glass remains unclear, as often …
liquid's viscosity increases by 14 decades to become a glass remains unclear, as often …
Influence of humidity on tribo-electric charging and segregation in shaken granular media
We study the effect of humidity on the charge accumulation of polymer granulates shaken
vertically in a stainless steel container. This setup allows us to control the humidity level from …
vertically in a stainless steel container. This setup allows us to control the humidity level from …