Grant: Canada Research Chairs
University of Waterloo
$200,000.00
Quantum Molecular Dynamics
EF 2019-20
Résumé
The proposed research is in the field of theoretical chemical physics and aims at developing theoretical tools for the simulation of new materials composed of confined molecular building blocks. The quantum energy level structure of these systems leads to unique material properties. The short term outcomes of the research include the design of software packages to study the quantum states and collective behaviour of water molecules confined in fullerene carbon cages. The understanding gained through this endeavor will in the long term enable the design of new materials for nano-electronics applications and quantum information processing.
Programme
Canada Research Chairs
Bénéficiaire
Emplacement
Ontario, Canada
Type de bénéficiaire
Academia
Type
Grant
Source
NSERC's Awards Data
Tel que publié
Application id
1000231024-2015
Name nom
Roy, PierreNicholas
Department département
Department of Chemistry
Organization id
33
Institution établissement
University of Waterloo
Province en
Ontario
Province fr
Ontario
Country en
CANADA
Country fr
CANADA
Fiscal year exercice financier
2019
Competition year année de concours
2015
Award amount
200000
Program id
CRC
Program name en
Canada Research Chairs
Program name fr
Chaires de recherche du Canada
Group en
DISCOVERY RESEARCH
Group fr
RECHERCHE AXÉE SUR LA DÉCOUVERTE
Committee code
9998
Committee name en
Canada Research Chair Selection Committee
Committee name fr
Comité de sélection des Chaires de recherche du Canada
Area of application code
9999
Area of application group en
Not available
Area of application group fr
Non disponible
Area of application en
Not available
Area of application fr
Non disponible
Research subject code
3150
Research subject group en
Theoretical physics and chemistry
Research subject group fr
Physique et chimie théoriques
Research subject en
Theoretical physics and chemistry
Research subject fr
Physique et chimie théoriques
Installment
NA
Partie
0
Nb partie
NA
Application title
Quantum Molecular Dynamics
Keyword
NSERC
Application summary
The proposed research is in the field of theoretical chemical physics and aims at developing theoretical tools for the simulation of new materials composed of confined molecular building blocks. The quantum energy level structure of these systems leads to unique material properties. The short term outcomes of the research include the design of software packages to study the quantum states and collective behaviour of water molecules confined in fullerene carbon cages. The understanding gained through this endeavor will in the long term enable the design of new materials for nano-electronics applications and quantum information processing.
