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Bassani, Carlos L., van Anders, Greg, Banin, Uri, Baranov, Dmitry, Chen, Qian, Dijkstra, Marjolein, Dimitriyev, Michael S., Efrati, Efi, Faraudo, Jordi, Gang, Oleg, Gaston, Nicola, Golestanian, Ramin, Guerrero-Garcia, G. Ivan, Gruenwald, Michael, Haji-Akbari, Amir, Ibáñez, Maria, Karg, Matthias, Kraus, Tobias, Lee, Byeongdu, Van Lehn, Reid C., Macfarlane, Robert J., Mognetti, Bortolo M., Nikoubashman, Arash, Osat, Saeed, Prezhdo, Oleg V., Rotskoff, Grant M., Saiz, Leonor, Shi, An-Chang, Skrabalak, Sara, Smalyukh, Ivan I., Tagliazucchi, Mario, Talapin, Dmitri V., Tkachenko, Alexei V., Tretiak, Sergei, Vaknin, David, Widmer-Cooper, Asaph, Wong, Gerard C. L., Ye, Xingchen, Zhou, Shan, Rabani, Eran, Engel, Michael, Travesset, Alex (2024). Nanocrystal Assemblies: Current Advances and Open Problems. ACS Nano.

Chennakesavalu, Shriram, Hu, Frank, Ibarraran, Sebastian, Rotskoff, Grant M. (2024). Energy Rank Alignment: Using Preference Optimization to Search Chemical Space at Scale.

Chen, Haoxuan, Ren, Yinuo, Ying, Lexing, Rotskoff, Grant M. (2024). Accelerating Diffusion Models with Parallel Sampling: Inference at Sub-Linear Time Complexity.

Klinger, Jérémie, Rotskoff, Grant M. (2024). Universal Energy-Speed-Accuracy Trade-Offs in Driven Nonequilibrium Systems.

Chennakesavalu, Shriram, Rotskoff, Grant M. (2024). Data-Efficient Generation of Protein Conformational Ensembles with Backbone-to-Side-Chain Transformers. The Journal of Physical Chemistry B.

Chennakesavalu, Shriram, Manikandan, Sreekanth K., Hu, Frank, Rotskoff, Grant M. (2024). Adaptive Nonequilibrium Design of Actin-Based Metamaterials: Fundamental and Practical Limits of Control. Proceedings of the National Academy of Sciences.

Batton, Clay H., Rotskoff, Grant M. (2024). Microscopic Origin of Tunable Assembly Forces in Chiral Active Environments. Soft Matter.

Liu, Kangxin, Rotskoff, Grant M., Vanden-Eijnden, Eric, Hocky, Glen M. (2024). Computing Equilibrium Free Energies through a Nonequilibrium Quench. The Journal of Chemical Physics.

Ren, Yinuo, Lu, Yiping, Ying, Lexing, Rotskoff, Grant M. (2023). Statistical Spatially Inhomogeneous Diffusion Inference.

PDF doi arXiv

Chennakesavalu, Shriram, Rotskoff, Grant M. (2023). Data Efficient Protein Backmapping with Backbone-to-Side Chain Transformers.

PDF doi arXiv

Batton, Clay H., Rotskoff, Grant M. (2023). Microscopic Origin of Tunable Assembly Forces in Chiral Active Environments.

PDF doi arXiv

Chennakesavalu, Shriram, Rotskoff, Grant M. (2023). Unified, Geometric Framework for Nonequilibrium Protocol Optimization. Physical Review Letters.

Chennakesavalu, Shriram, Toomer, David J., Rotskoff, Grant M. (2023). Ensuring Thermodynamic Consistency with Invertible Coarse-Graining. The Journal of Chemical Physics.

Bowman, Gregory R., Cox, Stephen J., Dellago, Christoph, DuBay, Kateri H., Eaves, Joel D., Fletcher, Daniel A., Frechette, Layne B., Gr"unwald, Michael, Klymko, Katherine, Ku, JiYeon, Omar, Ahmad K., Rabani, Eran, Reichman, David R., Rogers, Julia R., Rosnik, Andreana M., Rotskoff, Grant M., Schneider, Anna R., Schwierz, Nadine, Sivak, David A., Vaikuntanathan, Suriyanarayanan, Whitelam, Stephen, Widmer-Cooper, Asaph (2023). Remembering the Work of Phillip L. Geissler: A Coda to His Scientific Trajectory. Annual Review of Physical Chemistry.

Yan, Jiawei, Rotskoff, Grant M. (2022). Physics-Informed Graph Neural Networks Enhance Scalability of Variational Nonequilibrium Optimal Control. The Journal of Chemical Physics.

Yan, Jiawei, Rotskoff, Grant M. (2022). Physics-Informed Graph Neural Networks Enhance Scalability of Variational Nonequilibrium Optimal Control. The Journal of Chemical Physics.

Rotskoff, Grant M., Mitchell, Andrew R., Vanden-Eijnden, Eric (2022). Active Importance Sampling for Variational Objectives Dominated by Rare Events: Consequences for Optimization and Generalization.

Gabri'e, Marylou, Rotskoff, Grant M., Vanden-Eijnden, Eric (2022). Adaptive Monte Carlo Augmented with Normalizing Flows. Proceedings of the National Academy of Sciences.

Yan, Jiawei, Touchette, Hugo, Rotskoff, Grant M. (2022). Learning Nonequilibrium Control Forces to Characterize Dynamical Phase Transitions. Physical Review E.

Yan, Jiawei, Touchette, Hugo, Rotskoff, Grant M. (2022). Learning Nonequilibrium Control Forces to Characterize Dynamical Phase Transitions. Physical Review E.

Rotskoff, Grant, Vanden-Eijnden, Eric (2022). Trainability and Accuracy of Artificial Neural Networks: An Interacting Particle System Approach. Communications on Pure and Applied Mathematics.

Chennakesavalu, Shriram, Rotskoff, Grant M. (2021). Probing the Theoretical and Computational Limits of Dissipative Design. The Journal of Chemical Physics.

Gabri'e, Marylou, Rotskoff, Grant M., Vanden-Eijnden, Eric (2021). Efficient Bayesian Sampling Using Normalizing Flows to Assist Markov Chain Monte Carlo Methods.

Chennakesavalu, Shriram, Rotskoff, Grant M (2021). Cooperative Multi-Agent Reinforcement Learning for High-Dimensional Nonequilibrium Control.

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

Domingo-Enrich, Carles, Jelassi, Samy, Mensch, Arthur, Rotskoff, Grant M., Bruna, Joan (2020). A Mean-Field Analysis of Two-Player Zero-Sum Games.

Chen, Zhengdao, Rotskoff, Grant M., Bruna, Joan, Vanden-Eijnden, Eric (2020). A Dynamical Central Limit Theorem for Shallow Neural Networks.

Rotskoff, Grant M., Vanden-Eijnden, Eric (2019). Dynamical Computation of the Density of States and Bayes Factors Using Nonequilibrium Importance Sampling. Physical Review Letters.

Rotskoff, Grant, Jelassi, Samy, Bruna, Joan, Vanden-Eijnden, Eric (2019). Global Convergence of Neuron Birth-Death Dynamics.

Rotskoff, Grant M., Jelassi, Samy, Bruna, Joan, Vanden-Eijnden, Eric (2019). Neuron Birth-Death Dynamics Accelerates Gradient Descent and Converges Asymptotically.

Hauwiller, Matthew R., Frechette, Layne B., Jones, Matthew R., Ondry, Justin C., Rotskoff, Grant M., Geissler, Phillip, Alivisatos, A. Paul (2018). Unraveling Kinetically-Driven Mechanisms of Gold Nanocrystal Shape Transformations Using Graphene Liquid Cell Electron Microscopy. Nano Letters.

Rotskoff, Grant M., Geissler, Phillip L. (2018). Robust Nonequilibrium Pathways to Microcompartment Assembly. Proceedings of the National Academy of Sciences.

Rotskoff, Grant M., Vanden-Eijnden, Eric (2018). Parameters as Interacting Particles: Long Time Convergence and Asymptotic Error Scaling of Neural Networks.

Gingrich, Todd R, Rotskoff, Grant M, Horowitz, Jordan M (2017). Inferring Dissipation from Current Fluctuations. J. Phys. A: Math. Theor..

Rotskoff, Grant M (2017). Mapping Current Fluctuations of Stochastic Pumps to Nonequilibrium Steady States.. Phys. Rev. E.

Sosso, Gabriele Cesare, Caravati, Sebastiano, Rotskoff, Grant, Vaikuntanathan, Suriyanarayan, Hassanali, Ali (2017). On the Role of Nonspherical Cavities in Short Length-Scale Density Fluctuations in Water. The Journal of Physical Chemistry A.

Rotskoff, Grant M., Crooks, Gavin E., Vanden-Eijnden, Eric (2017). Geometric Approach to Optimal Nonequilibrium Control: Minimizing Dissipation in Nanomagnetic Spin Systems. Physical Review E.

Ye, Xingchen, Jones, Matthew R., Frechette, Layne B., Chen, Qian, Powers, Alexander S., Ercius, Peter, Dunn, Gabriel, Rotskoff, Grant M., Nguyen, Son C., Adiga, Vivekananda P., Zettl, Alex, Rabani, Eran, Geissler, Phillip L., Alivisatos, A. Paul (2016). Single-Particle Mapping of Nonequilibrium Nanocrystal Transformations. Science.

Ye, Xingchen, Jones, Matthew R., Frechette, Layne B., Chen, Qian, Powers, Alexander S., Ercius, Peter, Dunn, Gabriel, Rotskoff, Grant M., Nguyen, Son C., Adiga, Vivekananda P., Zettl, Alex, Rabani, Eran, Geissler, Phillip L., Alivisatos, A. Paul (2016). Single-Particle Mapping of Nonequilibrium Nanocrystal Transformations. Science.

Gingrich, Todd R., Rotskoff, Grant M., Crooks, Gavin E., Geissler, Phillip L. (2016). Near-Optimal Protocols in Complex Nonequilibrium Transformations. Proceedings of the National Academy of Sciences.

Gingrich, Todd R., Rotskoff, Grant M., Crooks, Gavin E., Geissler, Phillip L. (2016). Near-Optimal Protocols in Complex Nonequilibrium Transformations. Proceedings of the National Academy of Sciences.

Vaikuntanathan, Suriyanarayanan, Rotskoff, Grant, Hudson, Alexander, Geissler, Phillip L. (2016). Necessity of Capillary Modes in a Minimal Model of Nanoscale Hydrophobic Solvation. Proceedings of the National Academy of Sciences.

Rotskoff, Grant M, Crooks, Gavin E (2015). Optimal Control in Nonequilibrium Systems: Dynamic Riemannian Geometry of the Ising Model. Phys. Rev. E.

Willett, Jonathan W, Herrou, Julien, Briegel, Ariane, Rotskoff, Grant, Crosson, Sean (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..

Pronk, Sander, Pouya, Iman, Lundborg, Magnus, Rotskoff, Grant, Wésen, Björn, Kasson, Peter M, Lindahl, Erik (2015). Molecular Simulation Workflows as Parallel Algorithms: The Execution Engine of Copernicus, a Distributed High-Performance Computing Platform.. J. Chem. Theory Comput..

Gingrich, Todd R, Rotskoff, Grant M, Vaikuntanathan, Suriyanarayanan, Geissler, Phillip L (2014). Efficiency and Large Deviations in Time-Asymmetric Stochastic Heat Engines. New Journal of Physics.

Dama, James F, Rotskoff, Grant, Parrinello, Michele, Voth, Gregory A (2014). Transition-Tempered Metadynamics: Robust, Convergent Metadynamics via On-the-Fly Transition Barrier Estimation.. J. Chem. Theory Comput..

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Dama, James F, Rotskoff, Grant, Parrinello, Michele, Voth, Gregory A (2014). Transition-Tempered Metadynamics: Robust, Convergent Metadynamics via On-the-Fly Transition Barrier Estimation.. J. Chem. Theory Comput..

Herrou, Julien, Rotskoff, Grant, Luo, Yun, Roux, Beno^it, Crosson, Sean (2012). Structural Basis of a Protein Partner Switch That Regulates the General Stress Response of alpha-Proteobacteria.. Proc. Natl. Acad. Sci. U.S.A..