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  2. Chemistry

Chemistry

Type Research Project
Year 2011

Prediction of bulk properties using high accuracy ab initio methods interfaced with dynamical calculations

Type Research Project
Year 2011

Large Eddy Simulation of two phase flow combustion in gas turbines

Type Research Project
Year 2011

Potential energy surfaces for simulating complex chemical processes

Type Research Project
Year 2012

Simulations of Deflagration-to-Detonation Transition in Reactive Gases

Type Research Project
Year 2012

Potential Energy Surfaces for Simulating Complex Chemical Processes

A metallofullerene molecule

Type Research Project
Year 2012

Large-Eddy Simulation of Two-Phase Flow Combustion in Gas Turbines

Type Research Project
Year 2012

Energetic Aspects of CO2 Absorption by Ionic Liquids from Quantum Monte Carlo

Type Research Project
Year 2010

Simulation of Large Conformational Transitions in Macromolecular Systems using Leadership Computing

MD simulations in explicit water-membrane environment

Type Research Project
Year 2010

Large Eddy Simulation of Two-Phase Flow Combustion in Gas Turbines

Large Eddy Simulation of a Real, Full Combustion Chamber

Type Research Project
Year 2010

Prediction of bulk properties using high accuracy ab initio methods interfaced with dynamical calculations

George Schoendorff, Iowa State University

Type Research Project
Year 2010

High-Speed Combustion and Detonation (HSCD)

Credits: Alexei Khokhlov (U of C), Charles Bacon (ANL), Shashi Aithal (ANL), Joa

Type Research Project
Year 2010

High Accuracy Predictions of the Bulk Properties of Water

High Accuracy Predictions of the Bulk Properties of Water

Type Research Project
Year 2011

Better Catalytic System Designs through Nanoscale Research

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