220 Faculty Candidates in CoMSEF


Description:
This session provides an opportunity for faculty candidates to present their research related to thermodynamics and computational molecular science and engineering (COMSEF). The purpose of the session is to give faculty candidates the chance to present their research earlier in the week. We will only consider research presentations that are suitable for Area 1a and COMSEF, including classical thermodynamics, first-principle calculations and computational catalysis, atomistic and coarse-grained molecular simulations and advanced sampling techniques, mean-field techniques such as Cahn-Hillard methods, and self-consistent field theory, and data mining and machine learning approaches. Since this session is intended for faculty candidates only, in addition to an abstract outlining the to-be-presented research, applicants should also email the following to items to session organizers: (i) a one-page-max statement of research interests and objectives, (ii) a curriculum vitae. The first item will only be viewed by organizers, while the CV will be publicly available alongside the abstract if the submission is selected for an oral presentation.

Sponsor:
Computational Molecular Science and Engineering Forum
Co-Sponsor(s):
Thermodynamics and Transport Properties (01A), Meet the Faculty Candidate Poster Session – Sponsored by the Education Division (T1)


Chair:
Amir Haji-Akbari
Assistant Professor
Yale University
Department of Chemical and Environmental Engineering
New Haven, CT
06520
Email: amir.hajiakbaribalou@yale.edu

Co-Chair:
Jeremy C. Palmer
U
Department of Chemical and Biological Engineering
New Jersey, NJ
08544-5263
Email: jcpalmer@uh.edu


Papers:
Computationally-Efficient High-Throughput Screening of Nanoporous Materials for Hydrogen Storage
N. Scott Bobbitt, Northwestern University; Benjamin Bucior, Northwestern University; Arun Gopalan, Northwestern University; Neda Bagheri, Northwestern University; Randall Q. Snurr, Northwestern University
Reaction Ensemble Monte Carlo Simulations of Protic Ionic Liquid Formation
Ryan Gotchy Mullen, Lawrence Livermore National Laboratory; Edward Maginn, University of Notre Dame
Estimation of Nucleation Barriers for Colloidal Crystals from Computer Simulations
Antonia Statt, Princeton University; Peter Virnau, University of Mainz; Kurt Binder, University of Mainz
Replicating the Static and Dynamic Behavior of a Hybrid Fluid Via Relative Resolution
Aviel Chaimovich, Science Consilience; Christine Peter, University of Konstanz; Kurt Kremer, Max Planck Institute for Polymer Research
Using Advanced Field-Based Approaches to Predict Polymer Nanocomposite Phase Behavior
Jason P. Koski, Sandia National Laboratories; Amalie L. Frischknecht, Sandia National Laboratories; Robert A. Riggleman, University of Pennsylvania
A Graph-Based Approach for Systematic Molecular Coarse-Graining
Michael Webb, University of Chicago; Juan de Pablo, University of Chicago
Abstract Submissions Closed