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Professor Sarah (Sally) L. Price FRS

Summary
  Sally Price is a theoretical chemist who has lead the Control and Prediction of the Organic Solid State project and is a champion of the Directed Assembly Grand Challenge network. She collaborates extensively with many experimental groups in academia and industry, based on having a joint research group with Prof. Tocher. She has worked at UCL since 1990 (1990-6: Lecturer; 1996-2000 Reader; 2000: Professor). Before this, she was a Royal Society University Research Fellow, and a postdoctoral research associate at Cambridge University, working with Professor AJ Stone and in Chicago with Professor Burdett.  
Summary of research group
 

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. 

Studies are being performed in conjunction with pharmaceutical companies on the use of computed crystal energy landscapes as a complement to solid form screening, and with academic collaborators on how to devise a templating experiment to find a predicted polymorph. We are seeking to extend crystal structure prediction methods to larger molecules, and use the methods to derive more accurate force-fields for energetic materials and the prediction of chiral resolution.  Further information on Sally's research group can be found at www.cposs.org.uk 

Research highlights
  Successful participation in the Cambridge Crystallographic Data Centre’s Blind Tests of Crystal Structure Prediction
Research Facilities
  Developer of DMACRYS for modelling organic crystal structures with anisotropic (distributed multipole) intermolecular potentials. Extensive computational infrastructure for organic crystal structure prediction being developed in collaboration with Profs Pantelides and Adjiman, Imperial College.
Awards
 
  • Interdisciplinary Prize RSC (2015)
  • Annual Lecture, British Association for Crystal Growth (2013) 
  • Industrially Sponsored Award in Statistical Mechanics and Simulation, RSC (2005)
Memberships
 
  • Fellow, Royal Society of Chemistry
  • Member, American Chemical Society
  • Member, British Crystallographic Association
Research interests
 
  • Organic crystal structure and property modelling
  • Theory of Intermolecular forces
  • Analytical anisotropic atom-atom force-fields
  • The factors that control polymorphism
  • Organic crystal structure prediction
  • Polymorphism screening in context of solid form selection and drug development
Teaching
 
  • Course Organiser for CHEMM901, 4th year research projects
  • CHEMM302 - Topics in Quantum Mechanics
  • CHEM2301 - Physical Chemistry
  • CHEM2302 - Physical Chemistry for Medicinal Chemists and Life Sciences