Publications

The most up-to-date information on my publications is available on Google Scholar or arXiv.

(2024). Nanocrystal Assemblies: Current Advances and Open Problems. ACS Nano.

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(2024). Energy Rank Alignment: Using Preference Optimization to Search Chemical Space at Scale.

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(2024). Accelerating Diffusion Models with Parallel Sampling: Inference at Sub-Linear Time Complexity.

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(2024). Data-Efficient Generation of Protein Conformational Ensembles with Backbone-to-Side-Chain Transformers. The Journal of Physical Chemistry B.

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(2024). Adaptive Nonequilibrium Design of Actin-Based Metamaterials: Fundamental and Practical Limits of Control. Proceedings of the National Academy of Sciences.

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(2024). Microscopic Origin of Tunable Assembly Forces in Chiral Active Environments. Soft Matter.

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(2024). Computing Equilibrium Free Energies through a Nonequilibrium Quench. The Journal of Chemical Physics.

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(2023). Statistical Spatially Inhomogeneous Diffusion Inference.

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(2023). Unified, Geometric Framework for Nonequilibrium Protocol Optimization. Physical Review Letters.

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(2023). Ensuring Thermodynamic Consistency with Invertible Coarse-Graining. The Journal of Chemical Physics.

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(2023). Remembering the Work of Phillip L. Geissler: A Coda to His Scientific Trajectory. Annual Review of Physical Chemistry.

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(2022). Physics-Informed Graph Neural Networks Enhance Scalability of Variational Nonequilibrium Optimal Control. The Journal of Chemical Physics.

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(2022). Physics-Informed Graph Neural Networks Enhance Scalability of Variational Nonequilibrium Optimal Control. The Journal of Chemical Physics.

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(2022). Adaptive Monte Carlo Augmented with Normalizing Flows. Proceedings of the National Academy of Sciences.

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(2022). Learning Nonequilibrium Control Forces to Characterize Dynamical Phase Transitions. Physical Review E.

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(2022). Learning Nonequilibrium Control Forces to Characterize Dynamical Phase Transitions. Physical Review E.

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(2022). Trainability and Accuracy of Artificial Neural Networks: An Interacting Particle System Approach. Communications on Pure and Applied Mathematics.

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(2021). Probing the Theoretical and Computational Limits of Dissipative Design. The Journal of Chemical Physics.

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(2021). Efficient Bayesian Sampling Using Normalizing Flows to Assist Markov Chain Monte Carlo Methods.

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(2020). Learning with Rare Data: Using Active Importance Sampling to Optimize Objectives Dominated by Rare Events. arXiv:2008.06334 [cond-mat, physics:physics, stat].

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(2020). A Mean-Field Analysis of Two-Player Zero-Sum Games.

(2020). A Mean-Field Analysis of Two-Player Zero-Sum Games.

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(2020). A Dynamical Central Limit Theorem for Shallow Neural Networks.

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(2019). Dynamical Computation of the Density of States and Bayes Factors Using Nonequilibrium Importance Sampling. Physical Review Letters.

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(2019). Global Convergence of Neuron Birth-Death Dynamics.

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(2019). Neuron Birth-Death Dynamics Accelerates Gradient Descent and Converges Asymptotically.

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(2018). Unraveling Kinetically-Driven Mechanisms of Gold Nanocrystal Shape Transformations Using Graphene Liquid Cell Electron Microscopy. Nano Letters.

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(2018). Robust Nonequilibrium Pathways to Microcompartment Assembly. Proceedings of the National Academy of Sciences.

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(2017). Inferring Dissipation from Current Fluctuations. J. Phys. A: Math. Theor..

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(2017). On the Role of Nonspherical Cavities in Short Length-Scale Density Fluctuations in Water. The Journal of Physical Chemistry A.

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(2017). Geometric Approach to Optimal Nonequilibrium Control: Minimizing Dissipation in Nanomagnetic Spin Systems. Physical Review E.

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(2016). Single-Particle Mapping of Nonequilibrium Nanocrystal Transformations. Science.

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(2016). Single-Particle Mapping of Nonequilibrium Nanocrystal Transformations. Science.

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(2016). Near-Optimal Protocols in Complex Nonequilibrium Transformations. Proceedings of the National Academy of Sciences.

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(2016). Near-Optimal Protocols in Complex Nonequilibrium Transformations. Proceedings of the National Academy of Sciences.

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(2016). Necessity of Capillary Modes in a Minimal Model of Nanoscale Hydrophobic Solvation. Proceedings of the National Academy of Sciences.

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(2015). Structural Asymmetry in a Conserved Signaling System That Regulates Division, Replication, and Virulence of an Intracellular Pathogen.. Proc. Natl. Acad. Sci. U.S.A..

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(2015). Molecular Simulation Workflows as Parallel Algorithms: The Execution Engine of Copernicus, a Distributed High-Performance Computing Platform.. J. Chem. Theory Comput..

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(2014). Efficiency and Large Deviations in Time-Asymmetric Stochastic Heat Engines. New Journal of Physics.

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(2014). Transition-Tempered Metadynamics: Robust, Convergent Metadynamics via On-the-Fly Transition Barrier Estimation.. J. Chem. Theory Comput..

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(2014). Transition-Tempered Metadynamics: Robust, Convergent Metadynamics via On-the-Fly Transition Barrier Estimation.. J. Chem. Theory Comput..

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(2012). Structural Basis of a Protein Partner Switch That Regulates the General Stress Response of alpha-Proteobacteria.. Proc. Natl. Acad. Sci. U.S.A..

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