Baker, Lewis A., Clark, Sarah L., Habershon, Scott and Stavros, Vasilios G. (2017) Data for Ultrafast transient absorption spectroscopy of the sunscreen constituent ethylhexyl triazone. [Dataset]

Baker, Lewis A., Clark, Sarah L., Habershon, Scott and Stavros, Vasilios G. (2017) Ultrafast transient absorption spectroscopy of the sunscreen constituent ethylhexyl triazone. The Journal of Physical Chemistry Letters, 8 (10). pp. 2113-2118. doi:10.1021/acs.jpclett.7b00633 ISSN 1948-7185.

Buxton, Samuel and Habershon, Scott (2017) Accelerated path-integral simulations using ring-polymer interpolation. Journal of Chemical Physics, 147 . 224107. doi:10.1063/1.5006465 ISSN 0021-9606.

Eberhard, M., Savojardo, Antonino, Maruta, A and Römer, Rudolf A. (2017) Rogue wave generation by inelastic quasi-soliton collisions in optical fibres. Optics Express, 25 (23). pp. 28086-28099. doi:10.1364/OE.25.028086 ISSN 1094-4087.

Freedman, R. B., Desmond, Jasmine L., Byrne, Lee J., Heal, Jack W., Howard, Mark J., Sanghera, Narinder, Walker, Kelly L., Wallis, A. Katrine, Wells, Stephen A., Williamson, Richard A. and Römer, Rudolf A. (2017) ‘Something in the way she moves’ : the functional significance of flexibility in the multiple roles of protein disulfide isomerase (PDI). Biochimica et Biophysica Acta - Proteins and Proteomics, 1865 (11 Part A). pp. 1383-1394. doi:10.1016/j.bbapap.2017.08.014 ISSN 1570-9639.

Freedman, R. B., Desmond, Jasmine L., Heal, Jack W., Sanghera, Narinder, Walker, Kelly L., Wallis, A. Katrine, Wells, Stephen A. and Römer, Rudolf A. (2017) Data for 'Something in the way she moves': the functional significance of flexibility in the multiple roles of protein disulfide isomerase (PDI). [Dataset]

Guardiani, Carlo, Fedorenko, Olena A., Roberts, Stephen K. and Khovanov, I. A. (2017) Data for the selectivity of the NaChBac channel: an integrated computational and experimental analysis of sodium and calcium permeation. [Dataset]

Guardiani, Carlo, Fedorenko, Olena A., Roberts, Stephen K. and Khovanov, Igor A. (2017) On the selectivity of the NaChBac channel : an integrated computational and experimental analysis of sodium and calcium permeation. Physical Chemistry Chemical Physics, 19 (44). pp. 29840-29854. doi:10.1039/c7cp05928k ISSN 1463-9076.

Habershon, Scott and Baker, Lewis A. (2017) Photosynthetic pigment-protein complexes as highly-connected networks : implications for robust energy transport. Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, 473 (2201). doi:10.1098/rspa.2017.0112

Habershon, Scott and Richings, Gareth (2017) Data for Direct grid-based quantum dynamics on propagated diabatic potential energy surfaces. [Dataset]

Habershon, Scott and Richings, Gareth (2017) Data for Direct quantum dynamics using grid-based wavefunction propagation and machine-learned potential energy surfaces. [Dataset] (Submitted)

Habershon, Scott and Richings, Gareth (2017) Direct grid-based quantum dynamics on propagated diabatic potential energy surfaces. Chemical Physics Letters, 683 . pp. 228-233. doi:10.1016/j.cplett.2017.01.063 ISSN 0009-2614.

Medeiros, Paulo V. C., Marks, Samuel R., Wynn, Jamie M., Vasylenko, Andrij, Ramasse, Quentin M., Quigley, David, Sloan, Jeremy and Morris, Andrew J. (2017) Single-atom scale structural selectivity in Te nanowires encapsulated inside ultranarrow, single-walled carbon nanotubes. ACS Nano, 11 (6). pp. 6178-6185. doi:10.1021/acsnano.7b02225 ISSN 1936-0851.

Rajan, Ashwin T., McGordon, Andrew and Jennings, P. A. (Paul A.) (2017) Electrochemical modelling of Li-ion battery pack with constant voltage cycling. Journal of Power Sources, 341 . pp. 327-339. doi:10.1016/j.jpowsour.2016.11.092 ISSN 0378-7753.

Richings, Gareth and Habershon, Scott (2017) Direct quantum dynamics using grid-based wavefunction propagation and machine-learned potential energy surfaces. Journal of Chemical Theory and Computation, 13 (9). pp. 4017-4024. doi:10.1021/acs.jctc.7b00507 ISSN 1549-9618.

Saller, Maximilian A. C. and Habershon, Scott (2017) Data for Quantum dynamics with short-time trajectories and minimal adaptive basis sets. [Dataset]

Saller, Maximilian A. C. and Habershon, Scott (2017) Quantum dynamics with short-time trajectories and minimal adaptive basis sets. Journal of Chemical Theory and Computation, 13 (7). pp. 3085-3096. doi:10.1021/acs.jctc.7b00021 ISSN 1549-9618.

Wen, Mingjian, Li, Junhao, Brommer, Peter, Elliott, Ryan S., Sethna, James P. and Tadmor, Ellad B. (2017) A KIM-compliant potfit for fitting sloppy interatomic potentials : application to the EDIP model for silicon. Modelling and Simulation in Materials Science and Engineering, 25 (1). 014001. doi:10.1088/0965-0393/25/1/014001 ISSN 0965-0393.

Xu, Yuanwei and Rodger, P. Mark (2017) MBAR-enhanced lattice Monte Carlo simulation of the effect of helices on membrane protein aggregation. Journal of Computational Physics, 333 . pp. 128-141. doi:10.1016/j.jcp.2016.12.016 ISSN 0021-9991.