Christopher Knight
Title
Cited by
Cited by
Year
The curious case of the hydrated proton
C Knight, GA Voth
Accounts of chemical research 45 (1), 101-109, 2012
2392012
On the accuracy of the MB-pol many-body potential for water: Interaction energies, vibrational frequencies, and classical thermodynamic and dynamical properties from clusters …
SK Reddy, SC Straight, P Bajaj, C Huy Pham, M Riera, DR Moberg, ...
The Journal of chemical physics 145 (19), 194504, 2016
1542016
Hydroxide solvation and transport in anion exchange membranes
C Chen, YLS Tse, GE Lindberg, C Knight, GA Voth
Journal of the American Chemical Society 138 (3), 991-1000, 2016
1442016
Hydrogen-bond topology and the ice VII/VIII and ice I h/XI proton-ordering phase transitions
SJ Singer, JL Kuo, TK Hirsch, C Knight, L Ojamäe, ML Klein
Physical review letters 94 (13), 135701, 2005
1082005
Discovery of optimal zeolites for challenging separations and chemical transformations using predictive materials modeling
P Bai, MY Jeon, L Ren, C Knight, MW Deem, M Tsapatsis, JI Siepmann
Nature communications 6 (1), 1-9, 2015
842015
The water–amorphous silica interface: Analysis of the Stern layer and surface conduction
H Zhang, AA Hassanali, YK Shin, C Knight, SJ Singer
The Journal of chemical physics 134 (2), 024705, 2011
762011
Hydrogen bond topology and the ice VII/VIII and Ih/XI proton ordering phase transitions
C Knight, SJ Singer, JL Kuo, TK Hirsch, L Ojamäe, ML Klein
Physical Review E 73 (5), 056113, 2006
732006
Multiscale reactive molecular dynamics
C Knight, GE Lindberg, GA Voth
The Journal of chemical physics 137 (22), 22A525, 2012
582012
Molecular Origin of the Vibrational Structure of Ice Ih
DR Moberg, SC Straight, C Knight, F Paesani
The journal of physical chemistry letters 8 (12), 2579-2583, 2017
572017
The dissociated amorphous silica surface: Model development and evaluation
AA Hassanali, H Zhang, C Knight, YK Shin, SJ Singer
Journal of chemical theory and computation 6 (11), 3456-3471, 2010
552010
An analysis of hydrated proton diffusion in ab initio molecular dynamics
YLS Tse, C Knight, GA Voth
The Journal of chemical physics 142 (1), 014104, 2015
502015
Defining condensed phase reactive force fields from ab initio molecular dynamics simulations: The case of the hydrated excess proton
C Knight, CM Maupin, S Izvekov, GA Voth
Journal of chemical theory and computation 6 (10), 3223-3232, 2010
482010
Computationally efficient multiconfigurational reactive molecular dynamics
T Yamashita, Y Peng, C Knight, GA Voth
Journal of chemical theory and computation 8 (12), 4863-4875, 2012
472012
Many-body interactions in ice
CH Pham, SK Reddy, K Chen, C Knight, F Paesani
Journal of chemical theory and computation 13 (4), 1778-1784, 2017
442017
Prediction of a phase transition to a hydrogen bond ordered form of ice VI
C Knight, SJ Singer
The Journal of Physical Chemistry B 109 (44), 21040-21046, 2005
442005
A reexamination of the ice III/IX hydrogen bond ordering phase transition
C Knight, SJ Singer
The Journal of chemical physics 125 (6), 064506, 2006
382006
Hydrogen bond ordering in ice V and the transition to ice XIII
C Knight, SJ Singer
The Journal of chemical physics 129 (16), 164513, 2008
372008
Hydrogen-bond topology and proton ordering in ice and water clusters
SJ Singer, C Knight
Advances in chemical physics 147, 1, 2012
352012
Optimal scheduling of in-situ analysis for large-scale scientific simulations
P Malakar, V Vishwanath, T Munson, C Knight, M Hereld, S Leyffer, ...
SC'15: Proceedings of the International Conference for High Performance …, 2015
312015
Exploring the behaviour of the hydrated excess proton at hydrophobic interfaces
R Kumar, C Knight, GA Voth
Faraday discussions 167, 263-278, 2013
312013
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Articles 1–20