Gareth Tribello
Gareth Tribello
School of Maths and Physics, Queen's University Belfast
Verifierad e-postadress på qub.ac.uk - Startsida
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PLUMED 2: New feathers for an old bird
GA Tribello, M Bonomi, D Branduardi, C Camilloni, G Bussi
Computer Physics Communications 185 (2), 604-613, 2014
13782014
Simplifying the representation of complex free-energy landscapes using sketch-map
M Ceriotti, GA Tribello, M Parrinello
Proceedings of the National Academy of Sciences 108 (32), 13023-13028, 2011
2272011
A self-learning algorithm for biased molecular dynamics
GA Tribello, M Ceriotti, M Parrinello
Proceedings of the National Academy of Sciences 107 (41), 17509-17514, 2010
1282010
Porous organic cages for sulfur hexafluoride separation
T Hasell, M Miklitz, A Stephenson, MA Little, SY Chong, R Clowes, ...
Journal of the American Chemical Society 138 (5), 1653-1659, 2016
1232016
Promoting transparency and reproducibility in enhanced molecular simulations
M Bonomi, G Bussi, C Camilloni, GA Tribello, P Banáš, A Barducci, ...
Nature methods 16 (8), 670-673, 2019
1222019
Using sketch-map coordinates to analyze and bias molecular dynamics simulations
GA Tribello, M Ceriotti, M Parrinello
Proceedings of the National Academy of Sciences 109 (14), 5196-5201, 2012
1202012
A molecular dynamics study of the early stages of calcium carbonate growth
GA Tribello, F Bruneval, CC Liew, M Parrinello
The Journal of Physical Chemistry B 113 (34), 11680-11687, 2009
1182009
Demonstrating the transferability and the descriptive power of sketch-map
M Ceriotti, GA Tribello, M Parrinello
Journal of chemical theory and computation 9 (3), 1521-1532, 2013
992013
i-PI 2.0: A universal force engine for advanced molecular simulations
V Kapil, M Rossi, O Marsalek, R Petraglia, Y Litman, T Spura, B Cheng, ...
Computer Physics Communications 236, 214-223, 2019
912019
Surface Energy and Surface Proton Order of Ice
D Pan, LM Liu, GA Tribello, B Slater, A Michaelides, E Wang
Physical review letters 101 (15), 155703, 2008
872008
Asprich peptides are occluded in calcite and permanently disorder biomineral crystals
RA Metzler, GA Tribello, M Parrinello, P Gilbert
Journal of the American Chemical Society 132 (33), 11585-11591, 2010
682010
The phase diagram of water at negative pressures: Virtual ices
MM Conde, C Vega, GA Tribello, B Slater
The Journal of chemical physics 131 (3), 034510, 2009
682009
Surface energy and surface proton order of the ice Ih basal and prism surfaces
D Pan, LM Liu, GA Tribello, B Slater, A Michaelides, E Wang
Journal of Physics: Condensed Matter 22 (7), 074209, 2010
572010
Microscopic mechanism and kinetics of ice formation at complex interfaces: Zooming in on kaolinite
GC Sosso, T Li, D Donadio, GA Tribello, A Michaelides
The journal of physical chemistry letters 7 (13), 2350-2355, 2016
512016
A blind structure prediction of ice XIV
GA Tribello, B Slater, CG Salzmann
Journal of the American Chemical Society 128 (39), 12594-12595, 2006
502006
Locating binding poses in protein-ligand systems using reconnaissance metadynamics
P Söderhjelm, GA Tribello, M Parrinello
Proceedings of the National Academy of Sciences 109 (14), 5170-5175, 2012
482012
On thin ice: Surface order and disorder during pre-melting
CL Bishop, D Pan, LM Liu, GA Tribello, A Michaelides, EG Wang, B Slater
Faraday discussions 141, 277-292, 2009
452009
Proton ordering energetics in ice phases
GA Tribello, B Slater
Chemical physics letters 425 (4-6), 246-250, 2006
442006
Ice formation on kaolinite: Insights from molecular dynamics simulations
GC Sosso, GA Tribello, A Zen, P Pedevilla, A Michaelides
The Journal of chemical physics 145 (21), 211927, 2016
422016
Transient polymorphism in NaCl
F Giberti, GA Tribello, M Parrinello
Journal of chemical theory and computation 9 (6), 2526-2530, 2013
412013
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Artiklar 1–20