Publications by authors named "Harold Hatch"

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Colloidal Monolayers with Short-Range Attractions and Dipolar Repulsions.
Chieh-Chih George Yeh, Harold W Hatch, Adithya N Sreenivasan, Bhuvnesh Bharti, Vincent K Shen

J Phys Chem B· June 2025

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Development of SAFT-Based Coarse-Grained Models of Carbon Dioxide and Nitrogen.
Alexandros Chremos, William P Krekelberg, Harold W Hatch, Daniel W Siderius, Nathan A Mahynski

J Phys Chem B· April 2025

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

J Phys Chem Lett· December 2024

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Elucidating Thermodynamically Driven Structure-Property Relations for Zeolite Adsorption Using Neural Networks.
Christopher Rzepa, Devin Dabagian, Daniel W Siderius, Harold W Hatch, Vincent K Shen

JACS Au· December 2024

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Flow Activation Energy of High-Concentration Monoclonal Antibody Solutions and Protein-Protein Interactions Influenced by NaCl and Sucrose.
Guangcui Yuan, Paul F Salipante, Steven D Hudson, Richard E Gillilan, Qingqiu Huang, Harold W Hatch

Mol Pharm· September 2024

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Anisotropic coarse-grain Monte Carlo simulations of lysozyme, lactoferrin, and NISTmAb by precomputing atomistic models.
Harold W Hatch, Christina Bergonzo, Marco A Blanco, Guangcui Yuan, Sergei Grudinin

J Chem Phys· September 2024

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

J Chem Phys· September 2024

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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.
Harold W Hatch, Vincent K Shen, David S Corti

J Chem Phys· August 2024

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

J Phys Chem B· May 2024

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Role of Domain-Domain Interactions on the Self-Association and Physical Stability of Monoclonal Antibodies: Effect of pH and Salt.
Amy Y Xu, Marco A Blanco, Maria Monica Castellanos, Curtis W Meuse, Kevin Mattison, Harold W Hatch

J Phys Chem B· October 2023

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pH response of sequence-controlled polyampholyte brushes.
Xin Yuan, Harold W Hatch, Jacinta C Conrad, Amanda B Marciel, Jeremy C Palmer

Soft Matter· June 2023

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

J Phys Chem B· April 2023

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

J Phys Chem B· October 2022

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Extrapolation and interpolation strategies for efficiently estimating structural observables as a function of temperature and density.
Jacob I Monroe, Harold W Hatch, Nathan A Mahynski, M Scott Shell, Vincent K Shen

J Chem Phys· October 2020

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Parallel Prefetching for Canonical Ensemble Monte Carlo Simulations.
Harold W Hatch

J Phys Chem A· September 2020

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Dynamic arrest of adhesive hard rod dispersions.
Ryan P Murphy, Harold W Hatch, Nathan A Mahynski, Vincent K Shen, Norman J Wagner

Soft Matter· February 2020

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Computational Investigation of Correlations in Adsorbate Entropy for Pure-Silica Zeolite Adsorbents.
Christopher Rzepa, Daniel W Siderius, Harold W Hatch, Vincent K Shen, Srinivas Rangarajan

J Phys Chem C Nanomater Interfaces· January 2020

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Tabular Potentials for Monte Carlo Simulation of Supertoroids with Short-Range Interactions.
Harold W Hatch, Gordon W McCann

J Res Natl Inst Stand Technol· December 2019

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Improving the efficiency of Monte Carlo simulations of ions using expanded grand canonical ensembles.
Harold W Hatch, Steven W Hall, Jeffrey R Errington, Vincent K Shen

J Chem Phys· October 2019

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Evaluating the Effects of Hinge Flexibility on the Solution Structure of Antibodies at Concentrated Conditions.
Marco A Blanco, Harold W Hatch, Joseph E Curtis, Vincent K Shen

J Pharm Sci· May 2019

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Designing Molecular Building Blocks for the Self-assembly of Complex Porous Networks.
T Ann Maula, Harold W Hatch, Vincent K Shen, Srinivas Rangarajan, Jeetain Mittal

Mol Syst Des Eng· January 2019

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Discovery of a Novel cGAMP Competitive Ligand of the Inactive Form of STING.
Tony Siu, Michael D Altman, Gretchen A Baltus, Matthew Childers, J Michael Ellis, Harold Hatch

ACS Med Chem Lett· January 2019

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Monte Carlo simulation of cylinders with short-range attractions.
Harold W Hatch, Nathan A Mahynski, Ryan P Murphy, Marco A Blanco, Vincent K Shen

AIP Adv· September 2018

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A methodology to calculate small-angle scattering profiles of macromolecular solutions from molecular simulations in the grand-canonical ensemble.
Marco A Blanco, Harold W Hatch, Joseph E Curtis, Vincent K Shen

J Chem Phys· August 2018

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Predicting structural properties of fluids by thermodynamic extrapolation.
Nathan A Mahynski, Sally Jiao, Harold W Hatch, Marco A Blanco, Vincent K Shen

J Chem Phys· May 2018

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