Professor Jamshed Anwar


Research Overview

My expertise is in computer modelling and simulation with a focus on molecular simulations. My research aims to develop a fundamental understanding of organic molecular assemblies. Primarily the interest is in self assembly, phase transformations, interactions between assembled structures, and how assembled structures can be perturbed. Processes and systems being investigated include crystal nucleation and growth (with a particular interest in how these processes can be modulated), nanocrystals, phase transformations in crystals, biological membranes, protein aggregation, and drug delivery systems.

More broader applications include prediction of properties and behaviour of chemical and pharmaceutical systems, in particular drug delivery. The development of these predictive approaches should enable us to predict, optimise, and/or control the macroscopic properties and behaviour of chemical/pharmaceutical systems and processes on a rational basis, thus reducing both the factorial space and experimental effort to fewer and better experiments.

  • Chemical Theory and Computation