Peter J. Knowles, Ph.D
Affiliations: | 1983-1989 | University of Cambridge, Cambridge, England, United Kingdom | |
| 1985-1986 | University of Western Ontario, London, Ontario, Canada | ||
| 1989-1995 | Chemistry | University of Sussex, Falmer, England, United Kingdom | |
| 1995-2004 | Chemistry | University of Birmingham, Birmingham, England, United Kingdom | |
| 2004- | Chemistry | Cardiff University, Cardiff, Wales, United Kingdom |
Area:
Theoretical and computational chemistryWebsite:
http://www.cardiff.ac.uk/people/view/38535-knowles-peterGoogle:
"Peter Knowles"Bio:
http://genealogy.theochem.uni-hannover.de/view.php?id=1679
Mean distance: 9.41 | S | N | B | C | P |
Children
Sign in to add trainee| Nicholas A. Besley | grad student | 1994-1997 | University of Birmingham |
| Amy Jo Lai | grad student | 2014-2015 | Cardiff University |
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Publications
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| Alavi A, Allen M, Atalar K, et al. (2024) Stochastic and low-scaling techniques: general discussion. Faraday Discussions |
| Alavi A, Atalar K, Berkelbach TC, et al. (2024) Correlation in extended systems: general discussion. Faraday Discussions |
| Abraham V, Atalar K, Berard KO, et al. (2024) Novel perturbative and variational methods for stronger correlations: general discussion. Faraday Discussions |
| Werner HJ, Knowles PJ, Manby FR, et al. (2020) The Molpro quantum chemistry package. The Journal of Chemical Physics. 152: 144107 |
| Kreplin DA, Knowles PJ, Werner HJ. (2020) MCSCF optimization revisited. II. Combined first- and second-order orbital optimization for large molecules. The Journal of Chemical Physics. 152: 074102 |
| Aïssaoui L, Knowles PJ, Bouledroua M. (2020) The role of spin–orbit effects in the mobility of N+ ions moving in a helium gas at low temperature European Physical Journal D. 74: 155 |
| Polyak I, Hutton L, Crespo-Otero R, et al. (2019) Ultrafast Photoinduced Dynamics of 1,3-Cyclohexadiene Using XMS-CASPT2 Surface Hopping. Journal of Chemical Theory and Computation |
| Kreplin DA, Knowles PJ, Werner HJ. (2019) Second-order MCSCF optimization revisited. I. Improved algorithms for fast and robust second-order CASSCF convergence. The Journal of Chemical Physics. 150: 194106 |
| Polyak I, Richings GW, Habershon S, et al. (2019) Direct quantum dynamics using variational Gaussian wavepackets and Gaussian process regression. The Journal of Chemical Physics. 150: 041101 |
| Cooper B, Tudorovskaya M, Mohr S, et al. (2019) Quantemol Electron Collisions (QEC): An Enhanced Expert System for Performing Electron Molecule Collision Calculations Using the R-Matrix Method Atoms. 7: 97 |