1.3k citations
- Lawrence Berkeley National LaboratoryUS185 papers
- University of California, BerkeleyUS86 papers
- Kavli Energy NanoScience InstituteUS35 papers
- Advanced Light Source12 papers
- Centre National de la Recherche ScientifiqueFR9 papers
- Columbia UniversityUS8 papers
- Weizmann Institute of ScienceIL8 papers
- Commissariat à l'Énergie Atomique et aux Énergies AlternativesFR6 papers
- Foundry (United Kingdom)GB6 papers
- National Institute for Materials ScienceJP6 papers
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18 papers · 1 filter
Cooperative gas adsorption without a phase transition in metal-organic frameworks
Joyjit Kundu, Jurgen. F. Stilck, Jung-Hoon Lee +3
Cooperative adsorption of gases by porous frameworks permits more efficient uptake and removal than does the more usual non-cooperative (Langmuir-type) adsorption. Cooperativity, s…
Large deviations in the presence of cooperativity and slow dynamics
Stephen Whitelam
We study simple models of intermittency, involving switching between two states, within the dynamical large-deviation formalism. Singularities appear in the formalism when switchin…
Velocity-gauge real-time TDDFT within a numerical atomic orbital basis set
C. D. Pemmaraju, F. D. Vila, J. J. Kas +4
The interaction of laser fields with solid-state systems can be modeled efficiently within the velocity-gauge formalism of real-time time dependent density functional theory (RT-TD…
Sampling rare fluctuations of discrete-time Markov chains
Stephen Whitelam
We describe a simple method that can be used to sample the rare fluctuations of discrete-time Markov chains. We focus on the case of Markov chains with well-defined steady-state me…
Phase separation and large deviations of lattice active matter
Stephen Whitelam, Katherine Klymko, Dibyendu Mandal
Off-lattice active Brownian particles form clusters and undergo phase separation even in the absence of attractions or velocity-alignment mechanisms. Arguments that explain this ph…
Upper limit on nonlinear optical processes: shift current and second harmonic generation in extended systems
Liang Z. Tan, Andrew M. Rappe
The response functions of a material characterize its behavior under external stimuli, such as electromagnetic radiation. Such responses may grow linearly with the amplitude of the…