247 citations · 1.4k across the 22 of their papers we have counts for
4 papers · 1 filter
Layering, freezing and re-entrant melting of hard spheres in soft confinement
Tine Curk, Anouk de Hoogh, Francisco J. Martinez-Veracoechea +4
Confinement can have a dramatic effect on the behavior of all sorts of particulate systems and it therefore is an important phenomenon in many different areas of physics and techno…
Simulations: the dark side
Daan Frenkel
This paper discusses the Monte Carlo and Molecular Dynamics methods. Both methods are, in principle, simple. However, simple does not mean risk-free. In the literature, many of the…
Collective sedimentation of colloids in grafted polymer layers
Tine Curk, Francisco J. Martinez-Veracoechea, Daan Frenkel +1
We present Monte Carlo simulations of colloidal particles pulled into grafted polymer layers by external fields. The insertion free energy of a single colloid into the polymer laye…
Emergence of Critical Phenomena in Full Configuration Interaction Quantum Monte Carlo
James J. Shepherd, Lauretta R. Schwarz, Robert E. Thomas +3
There has been recent literature discussion on the origin and severity of the `sign problem' in full configuration interaction quantum Monte Carlo (FCIQMC) and its `initiator' adap…