Building Interpretable Machine Learning Models to Identify Chemometric Trends in Seabirds of the North Pacific Ocean von Mahynski, Nathan A., Ragland, Jared M., Schuur, Stacy S., Shen, Vincent K.

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Learning Efficient, Collective Monte Carlo Moves with Variational Autoencoders von Monroe, Jacob I., Shen, Vincent K.

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Programming Interfacial Porosity and Symmetry with Escherized Colloids von Mahynski, Nathan A., Shen, Vincent K.

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Flat-Histogram Monte Carlo Simulation of Water Adsorption in Metal–Organic Frameworks von Siderius, Daniel W., Hatch, Harold W., Shen, Vincent K.

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Monte Carlo molecular simulations with FEASST version 0.25.1 von Hatch, Harold W., Siderius, Daniel W., Shen, Vincent K.

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Theory and Monte Carlo simulation of the ideal gas with shell particles in the canonical, isothermal–isobaric, grand canonical, and Gibbs ensembles von Hatch, Harold W., Shen, Vincent K., Corti, David S.

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Systematic control of collective variables learned from variational autoencoders von Monroe, Jacob I., Shen, Vincent K.

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Symmetry-derived structure directing agents for two-dimensional crystals of arbitrary colloids von Mahynski, Nathan A, Shen, Vincent K

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Effect of the surface charge distribution on the fluid phase behavior of charged colloids and proteins von Blanco, Marco A., Shen, Vincent K.

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Temperature Extrapolation of Henry’s Law Constants and the Isosteric Heat of Adsorption von Siderius, Daniel W., Hatch, Harold W., Shen, Vincent K.

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Derivable genetic programming for two-dimensional colloidal materials von Mahynski, Nathan A., Han, Bliss, Markiewitz, Daniel, Shen, Vincent K.

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Symmetry-Based Crystal Structure Enumeration in Two Dimensions von Pretti, Evan, Shen, Vincent K, Mittal, Jeetain, Mahynski, Nathan A

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Grand canonical inverse design of multicomponent colloidal crystals von Mahynski, Nathan A, Mao, Runfang, Pretti, Evan, Shen, Vincent K, Mittal, Jeetain

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Efficiency Comparison of Single- and Multiple-Macrostate Grand Canonical Ensemble Transition-Matrix Monte Carlo Simulations von Hatch, Harold W., Siderius, Daniel W., Errington, Jeffrey R., Shen, Vincent K.

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Extracting Orientation and Distance-Dependent Interaction Potentials between Proteins in Solutions Using Small-Angle X‑ray/Neutron Scattering von Liu, Yun, Hatch, Harold W., Yuan, Guangcui, Shen, Vincent K., Grishaev, Alexander V., Panchal, Jainik, Blanco, Marco

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Using symmetry to elucidate the importance of stoichiometry in colloidal crystal assembly von Mahynski, Nathan A., Pretti, Evan, Shen, Vincent K., Mittal, Jeetain

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Leveraging uncertainty estimates and derivative information in Gaussian process regression for efficient collection and use of molecular simulation data von Monroe, Jacob I., Krekelberg, William P., McDannald, Austin, Shen, Vincent K.

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Oncogene-specific differences in tumor mutational burden, PD-L1 expression, and outcomes from immunotherapy in non-small cell lung cancer von Negrao, Marcelo V, Skoulidis, Ferdinandos, Montesion, Meagan, Schulze, Katja, Bara, Ilze, Shen, Vincent, Xu, Hao, Hu, Sylvia, Sui, Dawen, Elamin, Yasir Y, Le, Xiuning, Goldberg, Michael E, Murugesan, Karthikeyan, Wu, Chang-Jiun, Zhang, Jianhua, Barreto, David S, Robichaux, Jacqulyne P, Reuben, Alexandre, Cascone, Tina, Gay, Carl M, Mitchell, Kyle G, Hong, Lingzhi, Rinsurongkawong, Waree, Roth, Jack A, Swisher, Stephen G, Lee, Jack, Tsao, Anne, Papadimitrakopoulou, Vassiliki, Gibbons, Don L, Glisson, Bonnie S, Singal, Gaurav, Miller, Vincent A, Alexander, Brian, Frampton, Garrett, Albacker, Lee A, Shames, David, Zhang, Jianjun, Heymach, John V

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Use of the Grand Canonical Transition-Matrix Monte Carlo Method to Model Gas Adsorption in Porous Materials von Siderius, Daniel W, Shen, Vincent K

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Modulus–pressure equation for confined fluids von Gor, Gennady Y., Siderius, Daniel W., Shen, Vincent K., Bernstein, Noam

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