522 citations · 5.6k across the 44 of their papers we have counts for
46 papers
Study of the upper-critical dimension of the East model through the breakdown of the Stokes-Einstein relation
Soree Kim, Dayton G. Thorpe, Juan P. Garrahan +2
We investigate the dimensional dependence of dynamical fluctuations related to dynamic heterogeneity in supercooled liquid systems using kinetically constrained models. The -dim…
Intra-chain organisation of hydrophobic residues controls inter-chain aggregation rates of amphiphilic polymers
Patrick Varilly, Adam P. Willard, Julius B. Kirkegaard +2
Aggregation of amphiphiles through the action of hydrophobic interactions is a common feature in soft condensed matter systems and is of particular importance in the context of bio…
From fifty years ago, the birth of modern liquid-state science
David Chandler
The story told in this autobiographical perspective begins fifty years ago at the 1967 Gordon Research Conference on the Physics and Chemistry of Liquids. It traces developments in…
Applicability of dynamic facilitation theory to binary hard disk systems
Masaharu Isobe, Aaron S. Keys, David Chandler +1
We investigate numerically the applicability of dynamic facilitation (DF) theory for glass-forming binary hard disk systems where supercompression is controlled by pressure. By usi…
Water exchange at a hydrated platinum electrode is rare and collective
David T. Limmer, Adam P. Willard, Paul A. Madden +1
We use molecular dynamics simulations to study the exchange kinetics of water molecules at a model metal electrode surface -- exchange between water molecules in the bulk liquid an…
Pre-transition effects mediate forces of assembly between transmembrane proteins
Shachi Katira, Kranthi K. Mandadapu, Suriyanarayanan Vaikuntanathan +2
We present a mechanism for a generic and powerful force of assembly and mobility for transmembrane proteins in lipid bilayers. This force is a pre-transition (or pre-melting) effec…
Time scales of supercooled water and implications for reversible polyamorphism
David T. Limmer, David Chandler
Deeply supercooled water exhibits complex dynamics with large density fluctuations, ice coarsening and characteristic time scales extending from picoseconds to milliseconds. Here,…
Illusions of phase coexistence: Comments on "Metastable liquid-liquid transition ..." by J. C. Palmer et al., Nature 510, 385 (2014)
David Chandler
The recent paper cited above claims that a molecular simulation of one specific model of supercooled water establishes a stable interface separating two metastable liquid phases, w…
Comment on "Spontaneous liquid-liquid phase separation of water" by T. Yagasaki, M. Matsumoto and H. Tanaka, Phys. Rev. E 89, 020301 (2014)
David T. Limmer, David Chandler
Yagasaki et al. present results from a molecular dynamics trajectory illustrating coarsening of ice, which they interpret as evidence of transient coexistence between two distinct…
Robert W. Zwanzig: Formulated nonequilibrium statistical mechanics
Hans C. Andersen, David Chandler
This article is a brief Retrospective on the life and work of Robert W. Zwanzig, who formulated nonequilibrium statistical mechanics and who passed away in May of this year.
The molecular structure of the interface between water and a hydrophobic substrate is liquid-vapor like
Adam P. Willard, David Chandler
With molecular simulation for water and a tunable hydrophobic substrate, we apply the instantaneous interface construction [A. P. Willard and D. Chandler, J. Phys. Chem. B, 114, 19…
Premelting, fluctuations and coarse-graining of water-ice interfaces
David T. Limmer, David Chandler
Using statistical field theory supplemented with molecular dynamics simulations, we consider premelting on the surface of ice as a generic consequence of broken hydrogen bonds at t…
The electric double layer has a life of its own
Céline Merlet, David T. Limmer, Mathieu Salanne +4
Using molecular dynamics simulations with recently developed importance sampling methods, we show that the differential capacitance of a model ionic liquid based double-layer capac…
Using the s-Ensemble to Probe Glasses Formed by Cooling and Aging
Aaron S. Keys, David Chandler, Juan P. Garrahan
From length scale distributions characterizing frozen amorphous domains, we relate the s-ensemble method with standard cooling and aging protocols for forming glass. We show that i…
Comment on "Is there a breakdown of the Stokes-Einstein relation in Kinetically Constrained Models at low temperature?" by O. Blondel and C. Toninelli, arXiv:1307.1651
YounJoon Jung, Soree Kim, Juan P. Garrahan +1
We consider the diffusion constant, D, of a probe particle coupled to the East model, extending previous numerical results for this model to encompass a total of twelve orders of m…
Charge fluctuations in nano-scale capacitors
David T. Limmer, Céline Merlet, Mathieu Salanne +4
The fluctuations of the charge on an electrode contain information on the microscopic correlations within the adjacent fluid and their effect on the electronic properties of the in…
Theory of amorphous ices
David T Limmer, David Chandler
We derive a phase diagram for amorphous solids and liquid supercooled water and explain why the amorphous solids of water exist in several different forms. Application of large-dev…
Corresponding states for mesostructure and dynamics of supercooled water
David T. Limmer, David Chandler
Water famously expands upon freezing, foreshadowed by a negative coefficient of expansion of the liquid at temperatures close to its freezing temperature. These behaviors, and many…
The Putative Liquid-Liquid Transition is a Liquid-Solid Transition in Atomistic Models of Water, Part II
David T. Limmer, David Chandler
This paper extends our earlier studies of free energy functions of density and crystalline order parameters for models of supercooled water, which allows us to examine the possibil…
Characterizing heterogeneous dynamics at hydrated electrode surfaces
Adam P. Willard, David T. Limmer, Paul A. Madden +1
In models of Pt 111 and Pt 100 surfaces in water, motions of molecules in the first hydration layer are spatially and temporally correlated. To interpret these collective motions,…
Water Evaporation: A Transition Path Sampling Study
Patrick Varilly, David Chandler
We use transition path sampling to study evaporation in the SPC/E model of liquid water. Based on thousands of evaporation trajectories, we characterize the members of the transiti…
Solvation at Aqueous Metal Electrodes
David T. Limmer, Adam P. Willard, Paul A. Madden +1
We present a study of the solvation properties of model aqueous electrode interfaces. The exposed electrodes we study strongly bind water and have closed packed crystalline surface…
Phase diagram of supercooled water confined to hydrophilic nanopores
David T. Limmer, David Chandler
We present a phase diagram for water confined to cylindrical silica nanopores in terms of pressure, temperature and pore radius. The confining cylindrical wall is hydrophilic and d…
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…