Learning free energy landscapes using artificial neural networks von Sidky, Hythem, Whitmer, Jonathan K.

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Supracolloidal Reaction Kinetics of Janus Spheres von Chen, Qian, Whitmer, Jonathan K, Jiang, Shan, Bae, Sung Chul, Luijten, Erik, Granick, Steve

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An experimentally-informed coarse-grained 3-Site-Per-Nucleotide model of DNA: structure, thermodynamics, and dynamics of hybridization von Hinckley, Daniel M, Freeman, Gordon S, Whitmer, Jonathan K, de Pablo, Juan J

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Novel elastic response in twist-bend nematic models von Shi, Jiale, Sidky, Hythem, Whitmer, Jonathan K

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Accurate Determination of Cavitand Binding Free Energies via Unrestrained Advanced Sampling von Leonhard, Anne C, Whitmer, Jonathan K

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Thermodynamics of Li+–Crown Ether Interactions in Aqueous Solvent von González-Pérez, Ramón, Adams, Stephen, Dowling, Alexander W., Phillip, William A., Whitmer, Jonathan K.

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SSAGES: Software Suite for Advanced General Ensemble Simulations von Sidky, Hythem, Colón, Yamil J., Helfferich, Julian, Sikora, Benjamin J., Bezik, Cody, Chu, Weiwei, Giberti, Federico, Guo, Ashley Z., Jiang, Xikai, Lequieu, Joshua, Li, Jiyuan, Moller, Joshua, Quevillon, Michael J., Rahimi, Mohammad, Ramezani-Dakhel, Hadi, Rathee, Vikramjit S., Reid, Daniel R., Sevgen, Emre, Thapar, Vikram, Webb, Michael A., Whitmer, Jonathan K., de Pablo, Juan J.

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Triblock Colloids for Directed Self-Assembly von Chen, Qian, Diesel, Erich, Whitmer, Jonathan K, Bae, Sung Chul, Luijten, Erik, Granick, Steve

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Coarse-grained modeling of DNA curvature von Freeman, Gordon S, Hinckley, Daniel M, Lequieu, Joshua P, Whitmer, Jonathan K, de Pablo, Juan J

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Correction: Quevillon, M.J., et al. Charge Transport and Phase Behavior of Imidazolium-Based Ionic Liquid Crystals from Fully Atomistic Simulations. Materials 2018, 11 , 64 von Quevillon, Michael J, Whitmer, Jonathan K

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Influence of Hydrodynamics on Cluster Formation in Colloid−Polymer Mixtures von Whitmer, Jonathan K, Luijten, Erik

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Explicit Ion Effects on the Charge and Conformation of Weak Polyelectrolytes von Rathee, Vikramjit S, Sidky, Hythem, Sikora, Benjamin J, Whitmer, Jonathan K

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Role of Associative Charging in the Entropy–Energy Balance of Polyelectrolyte Complexes von Rathee, Vikramjit S, Sidky, Hythem, Sikora, Benjamin J, Whitmer, Jonathan K

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Calculating Binding Free Energies in Model Host–Guest Systems with Unrestrained Advanced Sampling von Marquardt, Andrew V., Farshad, Mohsen, Whitmer, Jonathan K.

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PySAGES: flexible, advanced sampling methods accelerated with GPUs von Zubieta Rico, Pablo F., Schneider, Ludwig, Pérez-Lemus, Gustavo R., Alessandri, Riccardo, Dasetty, Siva, Nguyen, Trung D., Menéndez, Cintia A., Wu, Yiheng, Jin, Yezhi, Xu, Yinan, Varner, Samuel, Parker, John A., Ferguson, Andrew L., Whitmer, Jonathan K., de Pablo, Juan J.

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Structures, thermodynamics and dynamics of topological defects in Gay-Berne nematic liquid crystals von Huang, Yulu, Wang, Weiqiang, Whitmer, Jonathan K, Zhang, Rui

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Free-Energy Landscape and Isomerization Rates of Au4 Clusters at Finite Temperatures von Shi, Jiale, Huang, Shanghui, Gygi, François, Whitmer, Jonathan K.

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Fluid–solid boundary conditions for multiparticle collision dynamics von Whitmer, Jonathan K, Luijten, Erik

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Free-Energy Landscape and Isomerization Rates of Au 4 Clusters at Finite Temperatures von Shi, Jiale, Huang, Shanghui, Gygi, François, Whitmer, Jonathan K

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In Silico Measurement of Elastic Moduli of Nematic Liquid Crystals von Sidky, Hythem, de Pablo, Juan J, Whitmer, Jonathan K

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