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Prof Sally Price

Computational Chemistry

Prof Sally Price

Address: Department of Chemistry, UCL
Phone No: +44 (0)20 7679 4622
Fax No: +44 (0)20 7679 7463
Extension: 24622
Professor Sally Price


Research areas of interest include:

  • Theoretical and computational chemistry
  • Organic crystal structure prediction
  • Organic crystal polymorphism and properties
  • Theory of Intermolecular Forces.
  • Model non-bonded potentials

Summary

Sally Price Research Image

Sally Price's group is developing the accurate modelling of organic crystal structures, in order to predict which crystal structures of an organic molecule are thermodynamically feasible. These are contrasted with experimental searches for polymorphs in order to understand the factors which lead to polymorphism, in a multi-disciplinary project "Control and Prediction of the Organic Solid State".

Research Profile

Selected Publications

  1. Price, S. L. (2013). Why don't we find more polymorphs? ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE 69, 313-328 doi:10.1107/S2052519213018861. Author URL
  2. Ismail, S. Z., Anderton, C. L., Copley, R. C. B., Price, L. S., Price, S. L. (2013). Evaluating a Crystal Energy Landscape in the Context of Industrial Polymorph Screening. CRYSTAL GROWTH & DESIGN 13(6), 2396-2406 doi:10.1021/cg400090r. Author URL
  3. Arlin, J. B., Price, L. S., Price, S. L., Florence, A. J. (2011). A strategy for producing predicted polymorphs: catemeric carbamazepine form V. CHEM COMMUN 47(25), 7074-7076 doi:10.1039/c1cc11634g.
  4. Price, S. L. Computed Crystal Energy Landscapes for Understanding and Predicting Organic Crystal Structures and Polymorphism. Accounts Chem. Res. 2009, 42(1), 117-126 doi:10.1021/ar800147t
  5. Price, S. L., Leslie, M., Welch, G. W. A., Habgood, M., Price, L. S., Karamertzanis, P. G., Day, G. M. Modelling organic crystal structures using distributed multipole and polarizability-based model intermolecular potentials. Phys. Chem. Chem. Phys. 2010, 12(30), 8478-8490 doi:10.1039/c004164e

All Publications

  • BA(I) in Natural Sciences from Clare College, Cambridge 1977.
  • PhD under the supervision of Dr A.J. Stone., University of Cambridge 1980.
  • Postdoctoral Research Associate in Inorganic Chemistry, with Prof. J.K. Burdett at University of Chicago 1981.
  • Postdoctoral research at Cambridge University Chemical Laboratory. Royal Society 1983
  • University Research Fellow, at Cambridge University 1985-1989 and University College London 1990.
  • Lecturer 1990-6
  • Reader 1996-00
  • Currently Professor at University College London.
  • Past Fellow 1981-9 and Director of Studies in Natural Sciences 1984-9 at Fitzwilliam College Cambridge
  • Visiting Professor, Queen's University of Belfast 1989
  • 1988-01 Zeneca Fellow
  • Editorial Board for CrystEngComm and Crystal Growth and Design
  • Royal Society of Chemistry 2005 Industrially Sponsored Award in Statistical Mechanics and Simulation¬†