Development of Linear-Scaling Quantum Chemistry Methods for the Simulations of Chemical Processes in Condensed Phases


Grant Data
Project Title
Development of Linear-Scaling Quantum Chemistry Methods for the Simulations of Chemical Processes in Condensed Phases
Principal Investigator
Dr Hu, Hao   (Principal investigator)
Co-Investigator(s)
Dr Yang Mingjun   (Co-Investigator)
Duration
48
Start Date
2013-01-01
Completion Date
2016-12-31
Amount
979680
Conference Title
Presentation Title
Keywords
Divide and conquer, density partition, chemical potential equalization, polarization, charge transfer
Discipline
Chemical Sciences
Panel
Physical Sciences
HKU Project Code
21273187
Grant Type
National Natural Science Foundation of China (NSFC) - General Program
Funding Year
2012/2013
Status
On-going