2017 Annual Meeting

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

CoMSEF Poster session

Chair

Jim Pfaendtner, University of Washington

Co-Chair

Christina M. Payne, National Renewable Energy Laboratory

Presentations

03:15 PM

(192k) Modeling Alkane Partitioning and Phase Behavior in Non-Permeable and Permeable Slit Pores

Jinlu Liu, Walter Chapman

(192ak) Molecular Simulation of Mechanical Properties of Multilayer Graphene Oxide Nanosheets

Xu Zhang, Xiaoning Yang

(192x) Studying the Structure and Dynamics of Amyloid?(21?30) with Experiments and Simulations

Dilnoza Amirkulova, Andrew White, Maghesree Chakraborty

(192al) Computational Discovery of New Materials and Processes for Industrial Separations

Mansi S. Shah, Michael Tsapatsis, Joern Siepmann

(192aa) Novel Computational/Experimental Apporaches to DNA/Proteins Interactions

Sabrina Pricl, Erik Laurini, Maurizio Fermeglia, Domenico Marson, Enzo Di Fabrizio, Monica Marini

(192bc) Accurate Methods to Describe System-Specific Polarization and Dispersion Energies

Thomas A. Manz, Nidia Gabaldon Limas, Taoyi Chen, Daniel J. Cole

(192ad) Qsars for Predicting Adipose:Blood Partitioning of Industrial Chemicals

Krystalia Papadaki, Spyros Karakitsios, Dimosthenis Sarigiannis

(192ab) Wiggling, Crowding, Self-Assembling. Synthesis and Activity of Computer-Designed Nanovectors for Gene and Drug Delivery

Erik Laurini, Maurizio Fermeglia, Silvia Brich, Domenico Marson

(192an) Molecular Simulations of Fullerene Stabilization in Water By Fullerene-Oxides

Kendra Noneman, Eric Jankowski

(192at) First-Principles Studies of the Interactions Between Chemical Species inside Vanadium Redox Flow Batteries

Nadia N. Intan, Konstantin Klyukin, Vitaly Alexandrov