Remembering the work of Phillip L. Geissler: A coda to his scientific trajectory

Abstract

Phillip L. Geissler made important contributions to the statistical mechanics of biological polymers, heterogeneous materials, and chemical dynamics in aqueous environments. He devised analytical and computational methods that revealed the underlying organization of complex systems at the frontiers of biology, chemistry, and materials science. In this retrospective, we celebrate his work at these frontiers.

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• Dynamic Pathways for Viral Capsid Assembly
• Device-scale perpendicular alignment of colloidal nanorods
• Avoiding unphysical kinetic traps in Monte Carlo simulations of strongly attractive particles
• The role of collective motion in examples of coarsening and self-assembly
• Phase Diagram of Active Brownian Spheres: Crystallization and the Metastability of Motility-Induced Phase Separation
• Mechanisms of light harvesting by photosystem II in plants
• Orientational Ordering of Passivating Ligands on CdS Nanorods in Solution Generates Strong Rod-Rod Interactions
• Ligand-Mediated Interactions between Nanoscale Surfaces Depend Sensitively and Nonlinearly on Temperature, Facet Dimensions, and Ligand Coverage
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• Efficiency and Large Deviations in Time-Asymmetric Stochastic Heat Engines
• Transferable Pair Potentials for CdS and ZnS Crystals
• Dynamic phase transitions in simple driven kinetic networks
• Metastability in pressure-induced structural transformations of CdSe/ZnS core/shell nanocrystals
• There and (slowly) back again: Entropy-driven hysteresis in a model of DNA overstretching
• The limits of filopodium stability
• Energy-dependent quenching adjusts the excitation diffusion length to regulate photosynthetic light harvesting
• Precision shooting: Sampling long transition pathways
• The limited role of non-native contacts in folding pathways of a lattice protein
• Coexistence between fluid and crystalline phases of proteins in photosynthetic membranes
• Rough interfaces, accurate predictions: The necessity of capillary modes in a minimal model of nanoscale hydrophobic solvation
• On the microscopic origin and macroscopic implications of lane formation in mixtures of oppositely-driven particles
• Putting water on a lattice: The importance of long wavelength density fluctuations in theories of hydrophobic and interfacial phenomena
• Consequences of lattice mismatch for phase equilibrium in heterostructured solids
• Reversible stretching of homopolymers and random heteropolymers
• Rare-event trajectory ensemble analysis reveals metastable dynamical phases in lattice proteins
• Preserving Correlations Between Trajectories for Efficient Path Sampling
• Interfacial ion solvation: Obtaining the thermodynamic limit from molecular simulations
• Stretching chimeric DNA: a test for the putative S-form
• Assessing long-range contributions to the charge asymmetry of ion adsorption at the air-water interface
• Mechanical response of random heteropolymers
• Adsorption of solutes at liquid-vapor interfaces: Insights from lattice gas models
• Consequences of local inter-strand dehybridization for large-amplitude bending fluctuations of double-stranded DNA
• Quadrupole-mediated dielectric response and the charge-asymmetric solvation of ions in water
• Heterogeneity-induced large deviations in activity and (in some cases) entropy production
• The Origin of Mean-Field Behavior in an Elastic Ising Model
• Large-scale simulations of fluctuating biological membranes
• Elastic Forces Drive Nonequilibrium Pattern Formation in a Model of Nanocrystal Ion Exchange
• Learning Mappings between Equilibrium States of Liquid Systems Using Normalizing Flows
• Solvation vs. freezing in a heteropolymer globule
• Conditioning Normalizing Flows for Rare Event Sampling
• Lattice models for protein organization throughout thylakoid membrane stacks
• Faster strain fluctuation methods through partial volume updates
• Patterns without patches: Hierarchical assembly of complex structures from simple building blocks