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G

Gareth A. Tribello

Queens University Belfast

31H-index
71Paper Count
8.2KCitation Count
Published Papers 42
Publication Date
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Making PLUMED Fly: A Tutorial on Optimizing Performance
errThe Journal of Physical Chemistry B
IF2.9
err2026-02-24
err0
errOAAI
errDaniele Rapetti; Massimiliano Bonomi; Carlo Camilloni; Giovanni Bussi; Gareth A. Tribello
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Using Möbius for automated assessment in mathematics: a case study
errTeaching Mathematics and Its Applications
IF0.9
err2026-01-01
err0
PREAI
errTribello, Gareth A.; Gruning, Myrta; Brown, Andrew; Barnes, David; Dore, Tom; Keys, Peter H.
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errSave
Transferability and expansion of the clayNN model
errMolecular Simulation
IF2
err2025-12-01
err0
PREAI
errShepherd, Sam; Realpe, Nataly V.; Tribello, Gareth A.; Wilkins, David M.
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errSave
PLUMED Tutorials: A collaborative, community-driven learning ecosystem
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2025-03-07
err1
PREAI
errTribello, Gareth A.; Bonomi, Massimiliano; Bussi, Giovanni; Camilloni, Carlo; Armstrong, Blake I.; Arsiccio, Andrea; Aureli, Simone; Ballabio, Federico; Bernetti, Mattia; Bonati, Luigi; Brookes, Samuel G. H.; Brotzakis, Z. Faidon; Capelli, Riccardo; Ceriotti, Michele; Chan, Kam-Tung; Cossio, Pilar; Dasetty, Siva; Donadio, Davide; Ensing, Bernd; Ferguson, Andrew L.; Fraux, Guillaume; Gale, Julian D.; Gervasio, Francesco Luigi; Giorgino, Toni; Herringer, Nicholas S. M.; Hocky, Glen M.; Hoff, Samuel E.; Invernizzi, Michele; Languin-Cattoen, Olivier; Leone, Vanessa; Limongelli, Vittorio; Lopez-Acevedo, Olga; Marinelli, Fabrizio; Febrer Martinez, Pedro; Masetti, Matteo; Mehdi, Shams; Michaelides, Angelos; Murtada, Mhd Hussein; Parrinello, Michele; Piaggi, Pablo M.; Pietropaolo, Adriana; Pietrucci, Fabio; Pipolo, Silvio; Pritchard, Claire; Raiteri, Paolo; Raniolo, Stefano; Rapetti, Daniele; Rizzi, Valerio; Rydzewski, Jakub; Salvalaglio, Matteo; Schran, Christoph; Seal, Aniruddha; Shayesteh Zadeh, Armin; Silva, Tomas F. D.; Spiwok, Vojtech; Stirnemann, Guillaume; Sucerquia, Daniel; Tiwary, Pratyush; Valsson, Omar; Vendruscolo, Michele; Voth, Gregory A.; White, Andrew D.; Wu, Jiangbo
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Modeling the ferroelectric phase transition in barium titanate with DFT accuracy and converged sampling
errPHYSICAL REVIEW B
IF3.7
err2024-07-01
err0
errOAAI
errGigli, Lorenzo; Goscinski, Alexander; Ceriotti, Michele; Tribello, Gareth A.
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Measuring friction from simulations of folded graphene sheets
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-05-02
err0
errOAAI
errRawlins, Charlie M.; Tribello, Gareth A.
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errSave
Interplay of multiple clusters and initial interface positioning for forward flux sampling simulations of crystal nucleation
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-06-08
err3
errOAAI
errBlow, Katarina E.; Tribello, Gareth A.; Sosso, Gabriele C.; Quigley, David
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errSave
A fully quantum-mechanical treatment for kaolinite
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-05-23
err1
errOAAI
errShepherd, Sam; Tribello, Gareth A.; Wilkins, David M.
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errSave
Can molecular dynamics be used to simulate biomolecular recognition?
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-05-09
err2
errOAAI
errLueking, Malin; van der Spoel, David; Elf, Johan; Tribello, Gareth A. A.
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errSave
Global Free-Energy Landscapes as a Smoothly Joined Collection of Local Maps
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-05-18
err12
errOAAI
errGiberti, F.; Tribello, G. A.; Ceriotti, M.
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errSave
Combining Machine Learning and Enhanced Sampling Techniques for Efficient and Accurate Calculation of Absolute Binding Free Energies
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-05-19
err30
errOAAI
errEvans, Rhys; Hovan, Ladislav; Tribello, Gareth A.; Cossins, Benjamin P.; Estarellas, Carolina; Gervasio, Francesco L.
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errSave
Classical nucleation theory predicts the shape of the nucleus in homogeneous solidification
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-01-23
err9
errOAAI
errCheng, Bingqing; Ceriotti, Michele; Tribello, Gareth A.
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errSave
Iterative Unbiasing of Quasi-Equilibrium Sampling
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2019-11-19
err20
errOAAI
errGiberti, F.; Cheng, B.; Tribello, G. A.; Ceriotti, M.
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errSave
Computational Evaluation of the Diffusion Mechanisms for C8 Aromatics in Porous Organic Cages
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2019-07-31
err13
errOAAI
errJackson, Edward; Miklitz, Marcin; Song, Qilei; Tribello, Gareth A.; Jelfs, Kim E.
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errSave
Promoting transparency and reproducibility in enhanced molecular simulations
errNATURE METHODS
IF32.1
err2019-07-30
err715
errOAAI
errBonomi, Massimiliano; Bussi, Giovanni; Camilloni, Carlo; Tribello, Gareth A.; Banas, Pavel; Barducci, Alessandro; Bernetti, Mattia; Bolhuis, Peter G.; Bottaro, Sandro; Branduardi, Davide; Capelli, Riccardo; Carloni, Paolo; Ceriotti, Michele; Cesari, Andrea; Chen, Haochuan; Chen, Wei; Colizzi, Francesco; De, Sandip; De La Pierre, Marco; Donadio, Davide; Drobot, Viktor; Ensing, Bernd; Ferguson, Andrew L.; Filizola, Marta; Fraser, James S.; Fu, Haohao; Gasparotto, Piero; Gervasio, Francesco Luigi; Giberti, Federico; Gil-Ley, Alejandro; Giorgino, Toni; Heller, Gabriella T.; Hocky, Glen M.; Iannuzzi, Marcella; Invernizzi, Michele; Jelfs, Kim E.; Jussupow, Alexander; Kirilin, Evgeny; Laio, Alessandro; Limongelli, Vittorio; Lindorff-Larsen, Kresten; Lohr, Thomas; Marinelli, Fabrizio; Martin-Samos, Layla; Masetti, Matteo; Meyer, Ralf; Michaelides, Angelos; Molteni, Carla; Morishita, Tetsuya; Nava, Marco; Paissoni, Cristina; Papaleo, Elena; Parrinello, Michele; Pfaendtner, Jim; Piaggi, Pablo; Piccini, GiovanniMaria; Pietropaolo, Adriana; Pietrucci, Fabio; Pipolo, Silvio; Provasi, Davide; Quigley, David; Raiteri, Paolo; Raniolo, Stefano; Rydzewski, Jakub; Salvalaglio, Matteo; Sosso, Gabriele Cesare; Spiwok, Vojtech; Sponer, Jiri; Swenson, David W. H.; Tiwary, Pratyush; Valsson, Omar; Vendruscolo, Michele; Voth, Gregory A.; White, Andrew
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errSave
Using Dimensionality Reduction to Analyze Protein Trajectories
errFRONTIERS IN MOLECULAR BIOSCIENCES
IF4
err2019-06-19
err53
errOAAI
errTribello, Gareth A.; Gasparotto, Piero
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i-PI 2.0: A universal force engine for advanced molecular simulations
errCOMPUTER PHYSICS COMMUNICATIONS
IF3.4
err2019-03-01
err273
errOAAI
errKapil, Venkat; Rossi, Mariana; Marsalek, Ondrej; Petraglia, Riccardo; Litman, Yair; Spura, Thomas; Cheng, Bingqing; Cuzzocrea, Alice; Meissner, Robert H.; Wilkins, David M.; Helfrecht, Benjamin A.; Juda, Przemyslaw; Bienvenue, Sebastien P.; Fang, Wei; Kessler, Jan; Poltavsky, Igor; Vandenbrande, Steven; Wieme, Jelle; Corminboeuf, Clemence; Kuehne, Thomas D.; Manolopoulos, David E.; Markland, Thomas E.; Richardson, Jeremy O.; Tkatchenko, Alexandre; Tribello, Gareth A.; Van Speybroeck, Veronique; Ceriotti, Michele
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Insights into mechanochemical reactions at the molecular level: simulated indentations of aspirin and meloxicam crystals
errCHEMICAL SCIENCE
IF7.4
err2019-01-01
err28
errOAAI
errFerguson, Michael; Silvina Moyano, M.; Tribello, Gareth A.; Crawford, Deborah E.; Bringa, Eduardo M.; James, Stuart L.; Kohanoff, Jorge; Del Popolo, Mario G.
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Building maps in collective variable space
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-09-12
err22
errOAAI
errGimondi, Ilaria; Tribello, Gareth A.; Salvalaglio, Matteo
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errSave
Nucleation of Molecular Crystals Driven by Relative Information Entropy
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2018-01-10
err34
errOAAI
errGobbo, Gianpaolo; Bellucci, Michael A.; Tribello, Gareth A.; Ciccotti, Giovanni; Trout, Bernhardt L.
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Research Directions

No research directions
Co-authors
Cooperation Journals
M
Michele Parrinello
H-index: 155 · Papers: 924
A
Andrew I. Cooper
H-index: 134 · Papers: 833
M
Michele Vendruscolo
H-index: 118 · Papers: 1.1K
G
Gregory A. Voth
H-index: 114 · Papers: 985
V
Véronique Van Speybroeck
H-index: 92 · Papers: 825
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