Imperial College London


Faculty of Natural SciencesDepartment of Mathematics

Research Associate







Huxley BuildingSouth Kensington Campus





Yuanwei Xu received his PhD in scientific computing in the Centre for Scientific Computing (CSC) at the University of Warwick, under the supervision of Prof. Mark Rodger (CSC and Chemistry). His doctoral thesis concerns the development, implementation and application of efficient Monte Carlo conformational sampling methods to lattice protein aggregation models that embodies secondary structures of the proteins in question. His contribution in methodology includes a novel approach to estimate the density of states, by capitalizing on the statistical optimality of an existing free energy calculation method. He also holds a MSc degree in financial mathematics and computation at the University of Leicester, UK. Yuanwei joined Imperial in December 2016 as Research Associate, working with Dr. Caroline Colijn.



Xu Y, Rodger PM, 2017, MBAR-enhanced lattice Monte Carlo simulation of the effect of helices on membrane protein aggregation, Journal of Computational Physics, Vol:333, ISSN:0021-9991, Pages:128-141

Xu Y, Rodger PM, 2015, Improved Estimation of Density of States for Monte Carlo Sampling via MBAR, Journal of Chemical Theory and Computation, Vol:11, ISSN:1549-9618, Pages:4565-4572

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