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In our group we focus on using and developing state-of-art simulation techniques to predict materials properties in bulk, solutions and at interfaces. 

The group in October 2016

  • Check out our newest papers
Effect of Chain Length on the Partition Properties of Poly (ethylene Oxide): A Comparison Between MARTINI Coarse-Grained and Atomistic Models,
J. Phys. Chem. B DOI:10.1021/acs.jpcb.6b10858

Tuneable Sieving of Ions Using Graphene Oxide Membranes,
Nat. Nano DOI: arXiv:1701.05519v1

Effective Polarization in Pairwise Potentials at the Graphene–Electrolyte Interface, J. Phys. Chem. 
Lett. DOI

Unexpected like-charge Self-Assembly 

Biguanide-Based Antimicrobial Polyelectrolyte, J. Phys. Chem. Lett. DOI:10.1021/acs.jpclett.6b01631

Van der Waals pressure and its effect on trapped interlayer molecules, Nat. Comm. DOI:10.1038/ncomms12168

Selective Removal of Technetium from Water Using Graphene Oxide Membranes, Env. Sci. Tech. DOI: 10.1021/acs.est.5b06032

A classical force field for tetrahedral oxyanions using hydration properties: The examples of pertechnetate (TcO4 −) and sulfate (SO4 2−),  J. Chem. Phys. DOI:10.1063/1.4934964


The full list of publications can be found here

  • Conferences we organize this and next year
The second edition of the CCP5 CCPBioSim Multiscale Conference in Manchester in 2016. 

  • Group's news
Alessio is visiting the group from Politecnico di Torino for 6 months.

Giuliana joined the group as PhD student working with Continental

Maria joined the group as PhD student working with Unilever

Paola is now member of the IUPAC Polymer Division

Paola is invited speaker at Macro2016

Tseden and Richard passed their PhD VIVA

Paola is an invited speaker at the High Polymer Conference in Pott Shrigley 

Chris was awarded an extension of his EPSRC fellowship of 8 months

Our paper on chromonic systems has been selected as hot paper in Soft Matter

Tseden and Afroditi will give an oral presentation at EUPOC 2015 in Dresden

Chris and Richard had their oral talks accepted at Thermodynamics 2015

Paola gives an invited seminar at the  APS March meeting in San Antonio

James passed successfully his first year VIVA

Paola is an invited plenary speaker at the 14th Theoretical Chemistry Symposium (Pune), India

Chris joined the group with his EPSRC Doctoral Prize fellowship to work on graphene based membranes
Paola received the 2015 APS/DPOLY Exchange Lecturer prize

Richard and Tseden passed successfully their second year VIVA.

Afroditi joined the group in July to work on  polymer/lipids interactions

Chandan Choudhurry and Dr. Sudip Roy joined the group for three months supported by UKIERI

James joined the group in April to work on graphene-membrane systems

Richard's image was accepted as the cover of the moth issue of J. Comp. Chem.