Homepage:
EPSRC NSCCS
http://www.nsccs.ac.uk/associate.php

• Administration of the EPSRC National Service for Computational Chemistry Software (NSCCS) for the academic community

• Implementation of chemistry software

• Delivering software training and organising workshops

• Fielding queries and problem solving

• "Characterization of Complicated New Polymorphs of Chlorothalonil by X-ray Diffraction and Computer Crystal Structure Prediction", M. Tremayne, L. Grice, J. C. Pyatt, C. C. Seaton, B. M. Kariuki, H. H. Y. Tsui, S. L. Price, and J. C. Cherryman, J. Amer. Chem. Soc., 126, 7071-7081, 2004.

• "Ab initio Calculations on Phenol-Water", H. H. Y. Tsui and T. van Mourik, Chem. Phys. Lett., 350 (5-6), 565-572, 2001.

• "A Non-empirical Method of Determining Atom-atom Repulsion Parameters: Application to the Crystal Structure Prediction of an Oxyboryl Derivative", H. H. Y. Tsui and S. L. Price, CrystEngComm, 7, 24-32, 1999.