Skip navigation

Chemical and Biological Engineering

Collections in this community

Items (Sorted by Submit Date in Descending order): 1 to 20 of 20
Issue DateTitleAuthor(s)
27-Sep-2023Data from "A Neural Network Water Model Based on the MB-pol Many-Body Potential"Muniz, Maria Carolina
28-Jul-2023Supplementary spatial data for Available Land for Cellulosic Biofuel Production: A Supply Chain Centered ComparisonO'Neill, Eric; Lark, Tyler; Xie, Yanhua; Basso, Bruno
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
6-Jun-2023Thermodynamic and Dynamics Data for Coarse-grained Intrinsically Disordered Proteins Generated by Active LearningWebb, Michael; Jacobs, William; An, Yaxin; Oliver, Wesley
2-Jun-2023Data for Configurations and Characteristics of Simulated Single-Chain NanoparticlesWebb, Michael; Patel, Roshan; Colmenares, Sophia
10-Apr-2023Data for "First-principles-based Machine Learning Models for Phase Behavior and Transport Properties of CO2"Nicola Barbosa Muniz, Maria Carolina
Feb-2023Grand Canonical Monte Carlo Codes and Data for Lattice Chain Phase and Aggregation BehaviorPanagiotopoulos, Athanassios Z.
30-Jan-2023Files for: "A Deep Potential model for liquid-vapor equilibrium and cavitation rates of water"Sanchez-Burgos, Ignacio
8-Aug-2022Genetic Algorithm Crystal Optimization in a Chiral Tetramer Model SystemPetsev, Nikolai D.; Nikoubashman, Arash; Latinwo, Folarin
26-Jul-2022Data from "Liquid-liquid transition in water from first principles"Gartner, Thomas
17-May-2022Data on Enzyme Activity Retention in glucose oxidase, lipase, and horseradish peroxidaseWebb, Michael; Patel, Roshan; Gormley, Adam; Tamasi, Matt; Borca, Carlos; Kosuri, Shashank
13-May-2022Molecular Dynamics Trajectories and Analysis Code Demonstrating Liquid-Liquid Criticality in the WAIL Water ModelWeis, Jack
6-May-2022Data for Coarse-grained Intrinsically Disordered ProteinsWebb, Michael; Patel, Roshan; Borca, Carlos
30-Mar-2022Data from "Transferability of data-driven, many-body models for CO2 simulations in the vapor and liquid phases"Yue, Shuwen; Riera, Marc
3-Aug-2021Chiral Tetramer Molecular ModelPetsev, Nikolai D.; Stillinger, Frank H.; Debenedetti, Pablo G.
24-Jun-2021Data corresponding to our paper on "Chemotactic smoothing of collective migration"Bhattacharjee, Tapomoy; Amchin, Daniel; Alert, Ricard; Ott, Jenna; Datta, Sujit
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.
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
Items (Sorted by Submit Date in Descending order): 1 to 20 of 20