Journal Article

Aragó, Juan and Troisi, Alessandro (2016) Regimes of exciton transport in molecular crystals in the presence of dynamic disorder. Advanced Functional Materials, 26 (14). pp. 2316-2325. doi:10.1002/adfm.201503888 ISSN 1616-301X.

Dedner, Andreas and Giesselmann, Jan (2016) A posteriori analysis of fully discrete method of lines DG schemes for systems of conservation laws. SIAM Journal on Numerical Analysis, 54 (6). pp. 3523-3549. doi:10.1137/15M1046265 ISSN 0036-1429.

Enstone, Gwilym, Brommer, Peter, Quigley, David and Bell, Gavin R. (2016) Enhancement of island size by dynamic substrate disorder in simulations of graphene growth. Physical Chemistry Chemical Physics, 18 . pp. 15102-15109. doi:10.1039/c6cp00788k ISSN 1463-9076.

Fornari, Rocco P., Aragó, Juan and Troisi, Alessandro (2016) Exciton dynamics in phthalocyanine molecular crystals. The Journal of Physical Chemistry C, 120 (15). pp. 7987-7996. doi:10.1021/acs.jpcc.6b01298 ISSN 1932-7447.

Goldsborough, Andrew M. and Römer, Rudolf A. (2016) Tensor networks and geometry for the modelling of disordered quantum many-body systems. IOP Computational Physics Group newsletter . (Submitted)

Guardiani, Carlo, Rodger, P. Mark, Fedorenko, Olena A., Roberts, Stephen K. and Khovanov, Igor A. (2016) Sodium binding sites and permeation mechanism in the NaChBac channel : a molecular dynamics study. Journal of Chemical Theory and Computation, 13 (3). pp. 1389-1400. doi:10.1021/acs.jctc.6b01035 ISSN 1549-9618.

Habershon, Scott (2016) Automated prediction of catalytic mechanism and rate law using graph-based reaction-path sampling. Journal of Chemical and Theory Computation, 12 (4). pp. 1786-1798. doi:10.1021/acs.jctc.6b00005 ISSN 1549-9618.

Lee, Myeong H. and Troisi, Alessandro (2016) Quantum dynamics of a vibronically coupled linear chain using a surrogate Hamiltonian approach. The Journal of Chemical Physics, 144 (21). 214106. doi:10.1063/1.4953043 ISSN 0021-9606.

Lifanov, Yuri, Vorselaars, Bart and Quigley, David (2016) Nucleation barrier reconstruction via the seeding method in a lattice model with competing nucleation pathways. The Journal of Chemical Physics, 145 (21). pp. 1-12. 211912. doi:10.1063/1.4962216 ISSN 0021-9606.

Núñez, C., Domínguez-Adame, F., Orellana, P. A., Rosales, L. and Römer, Rudolf A. (2016) Silicene-based spin-filter device : impact of random vacancies. 2D Materials, 3 (2). ISSN 2053-1583.