Professor Peter Knowles
Prosiectau fel Prif Ymchwiliwr
- A unified framework for quantum chemistry beyond Born-Oppenheimer approximation (11.06.2018 - 05.04.2022)
- A unified framework for quantum chemistry beyond the Born-Oppenheimer approximation (01.01.2021 - 30.04.2022)
- Core Capability for Chemistry Research: Cardiff School of Chemistry Mass Spectrocopy. (01.01.2013 - 31.03.2014)
- Enabling next generation quantum chemistry (08.11.2011 - 07.07.2012)
- Reaction orbitals: A new paradigm for chemical reaction mechanisms (01.08.2018 - 31.07.2020)
Prosiectau fel Cyd-Ymchwiliwr
- New Computational Methods for Molecular Electronic Structure (01.10.2013 - 30.09.2016)
- Cardiff centre for physical organic chemistry (01.04.2006 - 31.03.2011)
- Performance engineering for high end computing applications (01.10.2005 - 30.09.2009)
- Royal Society of Chemistry regional coordinator for Wales (10.10.2010 - 31.12.2018)
- Supercomputing Wales (01.07.2015 - 31.12.2022)
Setiau Data Ymchwil
- Computational timings of Traditional and Quasi-Variational Coupled-Cluster methods - Black JA, Knowles PJ (2017). Cardiff University. 10.17035/d.2017.0038224453. Chemical measurement Tools technologies and methods
- Single point energies and statistics for the CRBH20, BHPERI, DARC, ISOMER20, O3ADD6 and CRIEGEE databases - Black JA, Knowles PJ (2017). Cardiff University. 10.17035/d.2017.0038224181. Chemical measurement Tools technologies and methods
- Spectroscopic constants for third-row diatomics, calculated with single- and multi-reference methods - Black JA, Knowles PJ (2017). Cardiff University. 10.17035/d.2017.0038224345. Chemical measurement Tools technologies and methods