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Title
Author(s)
10-Apr-2023
Data for "First-principles-based Machine Learning Models for Phase Behavior and Transport Properties of CO2"
Nicola Barbosa Muniz, Maria Carolina
3-Dec-2020
Data from "Manifestations of metastable criticality in glassy water-like models detected by large-scale structural properties"
Gartner III, Thomas E.
;
Torquato, Salvatore
;
Car, Roberto
;
Debenedetti, Pablo G.
13-May-2022
Molecular Dynamics Trajectories and Analysis Code Demonstrating Liquid-Liquid Criticality in the WAIL Water Model
Weis, Jack
17-May-2022
Data on Enzyme Activity Retention in glucose oxidase, lipase, and horseradish peroxidase
Webb, Michael
;
Patel, Roshan
;
Gormley, Adam
;
Tamasi, Matt
;
Borca, Carlos
;
Kosuri, Shashank
3-Aug-2021
Chiral Tetramer Molecular Model
Petsev, Nikolai D.
;
Stillinger, Frank H.
;
Debenedetti, Pablo G.
6-Jun-2023
Thermodynamic and Dynamics Data for Coarse-grained Intrinsically Disordered Proteins Generated by Active Learning
Webb, Michael
;
Jacobs, William
;
An, Yaxin
;
Oliver, Wesley
6-May-2022
Data for Coarse-grained Intrinsically Disordered Proteins
Webb, Michael
;
Patel, Roshan
;
Borca, Carlos
27-Sep-2023
Data from "A Neural Network Water Model Based on the MB-pol Many-Body Potential"
Muniz, Maria Carolina
30-Jan-2023
Files for: "A Deep Potential model for liquid-vapor equilibrium and cavitation rates of water"
Sanchez-Burgos, Ignacio
8-Aug-2022
Genetic Algorithm Crystal Optimization in a Chiral Tetramer Model System
Petsev, Nikolai D.
;
Nikoubashman, Arash
;
Latinwo, Folarin
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Author
1
Moore, Samuel
1
Nicola Barbosa Muniz, Maria Carolina
1
Nikoubashman, Arash
1
O'Neill, Eric
1
Oliver, Wesley
1
Ott, Jenna
1
Paesani, Francesco
1
Panagiotopoulos, Athanassios
1
Piaggi, Pablo
1
Sanchez-Burgos, Ignacio
.
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Subject
4
water
2
chirality
2
Machine Learning
2
many-body potential
2
Molecular Dynamics
2
molecular dynamics
2
molecular simulation
2
Polymer
2
Protein
2
vapor-liquid equilibrium
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Date issued
9
2023
6
2022
3
2021
2
2020