Poster Session: Computational Molecular Science and Engineering Forum (CoMSEF) | AIChE

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Poster Session: Computational Molecular Science and Engineering Forum (CoMSEF)

Chair(s)

Pfaendtner, J., University of Washington

Co-chair(s)

Payne, C. M., National Renewable Energy Laboratory

CoMSEF Poster session

Presentations

3:15 PM
(192ai) Mechanism of Sodium Adsorption on N-Doped Graphene Nanoribbons
3:15 PM
(192al) Computational Discovery of New Materials and Processes for Industrial Separations
3:15 PM
(192aq) Molecular Simulation of Gas Adsorption in Metal-Organic Frameworks
3:15 PM
(192d) Understanding the Nanoscopic Structure of Lyotropic Liquid Crystal Membranes Using Molecular Dynamics Simulations
3:15 PM
(192bi) Addressing Discrepancies in Hydrogen Abstraction By Ooh Radical Via Automatic Transition State Theory Calculations
3:15 PM
(192as) Discovery of High-Performing MOFs Via High-Throughput Computation and Machine Learning
3:15 PM
(192bl) Theoretical Study Energetic Ionic Salts Composed of Nitrogen Bridge 3,3’-dinitro-5,5’-bis-1,2,4-triazole-1,1’-diolate Anion and Various Cations
3:15 PM
(192bb) Multi Metric 3D Protein Descriptors: The Correlation Impact of Algebraic Forms and Its Analysis
3:15 PM
(192ah) Density Functional Theory Screening of Metal Catecholates for Adsorption of Toxic Pnictogen Hydride Gases
3:15 PM
(192aj) Influence of Solvent on the Thermodynamics of Molecular Adsorption on Metal Surfaces
3:15 PM
(192ao) Interplay between Crystallization and Glass Transition in Bimetallic Nanoalloys
3:15 PM
(192ay) Solvation Dynamics and Energetics of Single-Walled Carbon Nanotubes (SWCNTs) in Water/Alcohol Mixtures
3:15 PM
(192s) Aerosol Formation in Post Combustion CO2 Capture Columns – Molecular Dynamic Simulation
3:15 PM
(192aa) Novel Computational/Experimental Apporaches to DNA/Proteins Interactions

Pages

Topics 

Computational Molecular Engineering

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