DrIsaacSugden

Faculty of Engineering, Department of Chemical Engineering

Research Associate

Contact

i.sugden Website CV

Location

611ARoderic Hill BuildingSouth Kensington Campus

Summary

Academic appointments:

Postdoctoral Research Associate, Imperial College London, Feb 2014 -
EngD Student, University College London, Sep 2009 - Sep 2013
Summer research worker, Bangor University, Jul 2009 - Aug 2009

Current Research:

As a Postdoctoral Research Associate in the CSP group of Claire S. Adjiman and Constantinos C. Pantelides, I carry out research in the area of crystal structure prediction algorithms, covering theory, implementation and application to industrial problems. More specifically, my research involves the maintenance, improvement and utilisation of the CrystalPredictor I, CrystalPredictor II and CrystalOptimizer codes

Selected Publications

Journal Articles

Reilly AM, Cooper RI, Adjiman CS, et al.Reilly AM, Cooper RI, Adjiman CS, Bhattacharya S, Boese AD, Brandenburg JG, Bygrave PJ, Bylsma R, Campbell JE, Car R, Case DH, Chadha R, Cole JC, Cosburn K, Cuppen HM, Curtis F, Day GM, DiStasio RA, Dzyabchenko A, van Eijck BP, Elking DM, van den Ende JA, Facelli JC, Ferraro MB, Fusti-Molnar L, Gatsiou CA, Gee TS, de Gelder R, Ghiringhelli LM, Goto H, Grimme S, Guo R, Hofmann DW, Hoja J, Hylton RK, Iuzzolino L, Jankiewicz W, de Jong DT, Kendrick J, de Klerk NJ, Ko HY, Kuleshova LN, Li X, Lohani S, Leusen FJ, Lund AM, Lv J, Ma Y, Marom N, Masunov AE, McCabe P, McMahon DP, Meekes H, Metz MP, Misquitta AJ, Mohamed S, Monserrat B, Needs RJ, Neumann MA, Nyman J, Obata S, Oberhofer H, Oganov AR, Orendt AM, Pagola GI, Pantelides CC, Pickard CJ, Podeszwa R, Price LS, Price SL, Pulido A, Read MG, Reuter K, Schneider E, Schober C, Shields GP, Singh P, Sugden IJ, Szalewicz K, Taylor CR, Tkatchenko A, Tuckerman ME, Vacarro F, Vasileiadis M, Vazquez-Mayagoitia A, Vogt L, Wang Y, Watson RE, de Wijs GA, Yang J, Zhu Q, Groom CR close, 2016, Report on the sixth blind test of organic crystal structure prediction methods., Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, Vol:72, ISSN:2052-5206, Pages:439-459

Habgood M, Sugden IJ, Kazantsev AV, et al.Habgood M, Sugden IJ, Kazantsev AV, Adjiman CS, Pantelides CC close, 2015, Efficient handling of molecular flexibility in ab initio generation of crystal structures, Journal of Chemical Theory and Computation, Vol:11, ISSN:1549-9618, Pages:1957-1969

Sugden IJ, Plant DF, Bell RG, 2013, Thermal rearrangement mechanisms in icosahedral carboranes and metallocarboranes, Chemical Communications, Vol:49, ISSN:1359-7345, Pages:975-977

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