Skip to main content
Toggle main menu visibility
Menu
Join
Sign In
Communities
Membership
Events
Publications
Learning & Careers
AIChE Home
About
Contact AIChE
Leadership
Events
Communities
Membership
Learning & Careers
Publications
Careers at AIChE
Equity, Diversity, Inclusion
Giving
Students
Young Professionals
Operating councils
Local Sections
Committees
Awards
Communities
Membership
Events
Publications
Learning & Careers
Toggle site search visibility
Sign In
Join
Breadcrumb
Home
Publications
Proceedings
CCPS 17th Annual International Conference and Workshop Risk, Reliability, and Security
General Submissions
TECHNICAL PAPERS
Selective Catalytic Reduction (SCR) System Design and Operations: Quantitative Risk Analysis of Options
2005 Annual Meeting
Session: Recent Advances in Molecular Simulation I
Chair
Escobedo, F. A.
, Cornell University
Co-Chair
Garde, S.
, Rensselaer Polytechnic Institute
Presentations
12:30 PM
(372a) Multiscale Modeling and Density of States Monte Carlo of Different Glass Formers
12:50 PM
(372b) Order Parameter Density of States Monte Carlo Simulations
01:10 PM
(372c) Towards More Realistic Nonequilibrium Molecular Dynamics Simulations
01:30 PM
(372d) Rapid Shear Viscosity Calculation by Momentum Impulse Relaxation Molecular Dynamics (Mir-MD)
01:50 PM
(372e) A Hamiltonian-Based Algorithm for Rigorous Molecular Dynamics Simulation in the Nve, Nvt, Npt, and Nph Ensembles
02:10 PM
(372f) Probing Ion Energetics in the Gramicidin a Channel Using Non-Additive Force Fields
02:30 PM
(372g) Importance of Including Long-Range Interactions in Simulations of Biologically Relevant 2d Surfaces