Monica Vasiliu

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…

Computational Catalyst Design: Controlling Chemical Transformations to Minimize Environmental Impact

Lead Institution

University of Alabama

Principal Investigator

David Dixon

Project type

Large-Scale EMSL Research

There is a critical need to develop new, renewable sources of energy as well as chemical feedstocks. Biomass is a carbon neutral source of energy and can also address issues related to the…

Computational Studies of Catalyzed Chemical Transformations of Biomass

Lead Institution

University of Alabama

Principal Investigator

David Dixon

Project type

Large-Scale EMSL Research

There is a critical need to develop new, renewable sources of energy as well as feedstocks for the chemical industry. Biomass is a carbon neutral source of energy and can also address issues related…

Computational Studies of Catalyzed Chemical Transformations of Biomass-Derived Intermediates

Lead Institution

University of Alabama

Principal Investigator

David Dixon

Project type

Large-Scale EMSL Research

There is a critical need to develop new, renewable sources of energy as well as feedstocks for the chemical industry. Biomass is a carbon neutral source of energy and can also address issues related…

Computational Studies of Catalyzed Chemical Transformations of Biomass and Derived Intermediates

Lead Institution

University of Alabama

Principal Investigator

David Dixon

Project type

Large-Scale EMSL Research

There is a critical need to develop new, renewable sources of energy as well as feedstocks for the chemical industry. Biomass is a carbon neutral source of energy and can also address issues related…

Computational Studies of Nanoparticle Formation Leading to Mineralization and ab initio Thermodynamics Studies of Minerals

Lead Institution

University of Alabama

Principal Investigator

David Dixon

Project type

Exploratory Research

There is a critical need to develop an understanding of nanoparticle and mineral formation in systems that contain H2O, metal ions and CO2 as carbonation and hydrolysis reactions are important for…

Computational Studies of Nanoparticle Formation and Bulk Properties for Biomineralization

Lead Institution

University of Alabama

Principal Investigator

David Dixon

Project type

Large-Scale EMSL Research

There is a critical need to develop an understanding of nanoparticle and mineral formation in systems that contain H2O, metal ions and CO2 as carbonation and hydrolysis reactions are important for…

Reliable Computational Studies of the Role of Metal Dications in Organic Complexation and Mineral Formation and the Formation of Atmospheric Acid Gases

Lead Institution

University of Alabama

Principal Investigator

David Dixon

Project type

Large-Scale EMSL Research

The proposed research has two major components. The first component will be to study the interaction of metal dications with organic materials, which is very important in geochemical and…

Projects