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Issue DateTitleAuthor(s)
10-Apr-2023Data for "First-principles-based Machine Learning Models for Phase Behavior and Transport Properties of CO2"Nicola Barbosa Muniz, Maria Carolina
Jun-2023Achromonodin-1 NMR spectraLink, A. James; Carson, Drew V.; So, Larry; Cheung-Lee, Wai Ling
19-Jun-2023Data for "Stability and Kinetics of Iron-Terephthalate MOFs with Diverse Structures in Aqueous Pollutant Degradation"Sarazen, Michele; Moore, Samuel
24-Jun-2021Data corresponding to our paper on "Chemotactic smoothing of collective migration"Bhattacharjee, Tapomoy; Amchin, Daniel; Alert, Ricard; Ott, Jenna; Datta, Sujit
3-Dec-2020Data 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.
Jul-2020Data from "Signatures of a liquid-liquid transition in an ab initio deep neural network model for water"Gartner, Thomas III; Zhang, Linfeng; Piaggi, Pablo; Car, Roberto; Panagiotopoulos, Athanassios; Debenedetti, Pablo
27-Sep-2023Data from "A Neural Network Water Model Based on the MB-pol Many-Body Potential"Muniz, Maria Carolina
13-May-2022Molecular Dynamics Trajectories and Analysis Code Demonstrating Liquid-Liquid Criticality in the WAIL Water ModelWeis, Jack
2021Data from "Vapor-liquid equilibrium of water with the MB-pol many-body potential"Muniz, Maria Carolina; Gartner III, Thomas E.; Riera, Marc; Knight, Christopher; Yue, Shuwen; Paesani, Francesco; Panagiotopoulos, Athanassios Z.
6-Jun-2023Thermodynamic and Dynamics Data for Coarse-grained Intrinsically Disordered Proteins Generated by Active LearningWebb, Michael; Jacobs, William; An, Yaxin; Oliver, Wesley