Grant: Research Tools and Instruments - Category 1 (<$150,000)
Cape Breton University
$19,803.00
Compute nodes for a linux cluster for computational chemistry research
FY 2006-07
Summary
The compute nodes requested will be added to an existing cluster of Linux machines within the Chemistry department. This computer cluster will allow us to perform high-level calculations which model chemical reactions having implications in stratospheric ozone destruction and global warming. The reactions to be studied can generally be classified as ones which may occur as target molecules (refrigerant replacements and alternative fuels) break down in the atmosphere. The thermodynamics and especially kinetics of the reactions will be studied. We will also examine in detail the structural changes which occur as the reactions proceed. The expanded cluster will also be used by researchers in the Chemistry, Physics and Mathematics departments.
Program
Research Tools and Instruments - Category 1 (<$150,000)
Recipient
Location
Nova Scotia, Canada
Recipient Type
Academia
Type
Grant
Source
NSERC's Awards Data
As published
Application id
344727-2007
Name nom
Martell, Jaime
Department département
Chemistry
Organization id
84
Institution établissement
Cape Breton University
Province en
Nova Scotia
Province fr
Nouvelle-Écosse
Country en
CANADA
Country fr
CANADA
Fiscal year exercice financier
2006
Competition year année de concours
2007
Award amount
19803
Program id
EQPEQ
Program name en
Research Tools and Instruments - Category 1 (<$150,000)
Program name fr
Outils et instruments de recherche - catégorie 1 (<150 000$)
Group en
Discovery grants programs
Group fr
Programmes de subventions à la découverte
Committee code
26
Committee name en
Anal. & Phys. Chemistry
Committee name fr
Chimie analytique et physique
Area of application code
401
Area of application group en
Environment
Area of application group fr
Environnement
Area of application en
Climate and atmosphere
Area of application fr
Climat et atmosphère
Research subject code
3156
Research subject group en
Theoretical physics and chemistry
Research subject group fr
Physique et chimie théoriques
Research subject en
Quantum and/or computational chemistry
Research subject fr
Chimie quantique ou par modélisation numérique
Partie
1
Nb partie
1
Application title
Compute nodes for a linux cluster for computational chemistry research
Keyword
NA
Application summary
The compute nodes requested will be added to an existing cluster of Linux machines within the Chemistry department. This computer cluster will allow us to perform high-level calculations which model chemical reactions having implications in stratospheric ozone destruction and global warming. The reactions to be studied can generally be classified as ones which may occur as target molecules (refrigerant replacements and alternative fuels) break down in the atmosphere. The thermodynamics and especially kinetics of the reactions will be studied. We will also examine in detail the structural changes which occur as the reactions proceed. The expanded cluster will also be used by researchers in the Chemistry, Physics and Mathematics departments.
