522 citations · 5.6k across the 44 of their papers we have counts for
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Constrained dynamics of localized excitations causes a non-equilibrium phase transition in an atomistic model of glass formers
Thomas Speck, David Chandler
Dynamic facilitation theory assumes short-ranged dynamic constraints to be the essential feature of supercooled liquids and draws much of its conclusions from the study of kinetica…
Sitting at the edge: How biomolecules use hydrophobicity to tune their interactions and function
Amish J. Patel, Patrick Varilly, Sumanth N. Jamadagni +3
Water near hydrophobic surfaces is like that at a liquid-vapor interface, where fluctuations in water density are substantially enhanced compared to that in bulk water. Here we use…
Molecular explanation for why talc surfaces can be both hydrophilic and hydrophobic
Benjamin Rotenberg, Amish J. Patel, David Chandler
While individual water molecules adsorb strongly on a talc surface (hydrophilic behavior), a droplet of water beads up on the same surface (hydrophobic behavior). To rationalize th…
Preparation and relaxation of very stable glassy states of a simulated liquid
Robert L. Jack, Lester O. Hedges, Juan P. Garrahan +1
We prepare metastable glassy states in a model glass-former made of Lennard-Jones particles by sampling biased ensembles of trajectories with low dynamical activity. These trajecto…
Excitations are localized and relaxation is hierarchical in glass-forming liquids
Aaron S. Keys, Lester O. Hedges, Juan P. Garrahan +2
For several atomistic models of glass formers, at conditions below their glassy dynamics onset temperatures, , we use importance sampling of trajectory space to stu…
The Putative Liquid-Liquid Transition is a Liquid-Solid Transition in Atomistic Models of Water
David T. Limmer, David Chandler
We use numerical simulation to examine the possibility of a reversible liquid-liquid transition in supercooled water and related systems. In particular, for two atomistic models of…
Quantifying density fluctuations in volumes of all shapes and sizes using indirect umbrella sampling
Amish J. Patel, Patrick Varilly, David Chandler +1
Water density fluctuations are an important statistical mechanical observable that is related to many-body correlations, as well as hydrophobic hydration and interactions. Local wa…
Extended surfaces modulate and can catalyze hydrophobic effects
Amish J. Patel, Patrick Varilly, Sumanth N. Jamadagni +3
Interfaces are a most common motif in complex systems. To understand how the presence of interfaces affect hydrophobic phenomena, we use molecular simulations and theory to study h…
Lectures on Molecular- and Nano-scale Fluctuations in Water
David Chandler, Patrick Varilly
This manuscript is the written form of three lectures delivered by David Chandler at the International School of Physics "Enrico Fermi", Course CLXXVI - "Complex materials in physi…