Sanliang Ling | Environmental Molecular Sciences Laboratory

Computational Design of Catalysts: The Control of Chemical Transformation to Minimize the Environmental Impact of Chemical Processes

Lead Institution

University of Alabama

Principal Investigator

David Dixon

Project type

Capability Research

Catalysis is governed by a delicate balance between a myriad of competing bond making and breaking processes including adsorption, reaction, desorption, and surface diffusion that occur at active…

Computational Design of Catalysts: The Control of Chemical Transformation to Minimize the Environmental Impact of Chemical Processes

Lead Institution

University of Alabama

Principal Investigator

David Dixon

Project type

Capability Research

Catalysis is governed by a delicate balance between a myriad of competing bond making and breaking processes including adsorption, reaction, desorption, and surface diffusion that occur at active…

Interplay Between Electronic and Ionic Processes at Grain Boundaries of Polycrystalline Oxides

Lead Institution

University College London

Principal Investigator

Alexander Shlyuger

Project type

Large-Scale EMSL Research

The main objective of this project is to investigate the interplay between electronic and ionic processes at grain boundaries of polycrystalline oxides, such as MgO, stabilized cubic ZrO2 and…

Excitation and Desorption of Nano-crystalline ZrO2

Lead Institution

University College London

Principal Investigator

Alexander Shlyuger

Project type

Large-Scale EMSL Research

This project is focused on integrated theoretical and experimental studies of the interaction of light with nanoscale oxide materials of fundamental interest to the fields of photo-catalysis,…

Structure and Recognition in Microbial Membranes Proteins, and DNA

Lead Institution

Oak Ridge National Laboratory

Principal Investigator

T. Straatsma

Project type

Capability Research

Developments in simulation methodologies as well as computer hardware have enabled the molecular simulation of biological systems of increasing size and with increasing accuracy, providing molecular…

Projects

Computational Design of Catalysts: The Control of Chemical Transformation to Minimize the Environmental Impact of Chemical Processes

Computational Design of Catalysts: The Control of Chemical Transformation to Minimize the Environmental Impact of Chemical Processes

Interplay Between Electronic and Ionic Processes at Grain Boundaries of Polycrystalline Oxides

Excitation and Desorption of Nano-crystalline ZrO2

Structure and Recognition in Microbial Membranes Proteins, and DNA