Thirtieth Anniversary Molecular Simulation

Molecular Simulation

Discover the 30th Anniversary Celebration Video

Some remarks on the thirtieth anniversary of Molecular Simulation

It is thirty years since the first issue of Molecular Simulation. The idea for the journal arose from a discussion in the Barley Mow pub in Englefield Green (Surrey) between myself, David Fincham and Dominic Tildesley with a representative of the publishers Gordon and Breach in the summer of 1986. At that time there was very considerable activity in the UK, Europe and the US in the area of molecular simulation both in universities and increasingly in industry. The topics being tackled were remarkably similar to today. The CECAM conferences in Paris in the preceding five years had included work on protein dynamics, protein binding, multiscale modelling and NEMD. However, there was no journal focused exclusively on the area, where codes, algorithms and applications could be presented. There was no ‘house journal’. At our meeting in 1986 we discussed how that might be addressed and in the end, I volunteered to be the Editor of the new Journal. I had first to ask permission of my employer British Petroleum to edit the journal outside of company time – in my ‘spare time’. The head of BP Research duly asked me, in return, what spare time I thought I had!

In the end, they were happy for me to proceed and I was very pleased to be able to put together an editorial board including M. P. Allen, D. Frenkel, A. Geiger, K. E. Gubbins, W. G. Hoover, B. Jonsson, J. A. McCammon, V. Pontikis, D. J. Tildesley, J. M. Thomas, L. V. Woodcock, R. Vallauri with W. F. van Gunsteren & J. M. Haile as regional editors for the Europe and the US. In 2001 Molecular Simulation was bought by Taylor & Francis who brought a new professionalism to the production and distribution of the journal. Since that time the journal has seen a fivefold increase in size and has seen submissions diversify from the US and Europe to include Asia and, in particular, China. Given the strength of our Asian audience it was appropriate in 2017 to hold the anniversary board meeting at our annual Molecular Simulation Workshop, held in Nanjing. Five Editors were present as well as a good fraction of the Editorial Board. Our host, Prof. Wenbing Hu, treated us to a wonderful banquet and a Molecular Simulation birthday cake. I look forward to the Journal’s continued success in the years to come.

Nick Quirke

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MS2017 Special Issue

Submissions are now open for the special issue from the 2017 Molecular Simulation Workshop. Guest Editor: Professor Wenbing Hu, Nanjing University.

To submit, visit and select “Soft Matter – Molecular Simulation Workshop” when asked for the issue title. 

Dates for your diary

Molecular Simulation Workshop, MS2018
25-26 August, 2018 – Shanghai

Host: Prof. Shuangliang Zhao Ph.D.  
East China University of Science and Technology (ECUST)

Molecular Simulation Workshop, MS2019
To be held late August/early September 2019

Host: Yingchun Liu
Zhejiang University