Gareth A. Tribello

Queen's University Belfast — United Kingdom

Biochemistry, Genetics and Molecular Biology · Life Sciences

31h-index8.1kcitations71works3.42yr avg
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Research Topics

Protein Structure and Dynamics(17), Advanced Chemical Physics Studies(11), nanoparticles nucleation surface interactions(11), Theoretical and Computational Physics(10), Spectroscopy and Quantum Chemical Studies(9)

Publications71 total

Using Möbius for automated assessment in mathematics: a case study
Teaching Mathematics and its Applications An International Journal of the IMA·2025Open Access
Transferability and expansion of the clayNN model
Molecular Simulation·2025Open Access
Using molecular dynamics to investigate the driving force for graphene auto-kirigami
arXiv (Cornell University)·2025Open Access
PLUMED Tutorials: A collaborative, community-driven learning ecosystem
The Journal of Chemical Physics·2025· 24 citedOpen Access
PLUMED Tutorials: a collaborative, community-driven learning ecosystem
Research Portal (Queen's University Belfast)·2024· 2 citedOpen Access
Modeling the ferroelectric phase transition in barium titanate with DFT accuracy and converged sampling
Physical review. B./Physical review. B·2024· 6 cited
Measuring friction from simulations of folded graphene sheets
The Journal of Chemical Physics·2024
Measuring friction from simulations of folded graphene sheets
arXiv (Cornell University)·2024Open Access
An Elementary Approach to the Vehicle Routing Problem via Python and Google API
American Journal of Operations Research·2024Open Access
Modeling the ferroelectric phase transition in barium titanate with DFT accuracy and converged sampling
arXiv (Cornell University)·2023Open Access
Interplay of multiple clusters and initial interface positioning for forward flux sampling simulations of crystal nucleation
The Journal of Chemical Physics·2023· 4 citedOpen Access
A fully quantum-mechanical treatment for kaolinite
The Journal of Chemical Physics·2023· 7 citedOpen Access
Can molecular dynamics be used to simulate biomolecular recognition?
The Journal of Chemical Physics·2023· 4 citedOpen Access
Can molecular dynamics be used to simulate biomolecular recognition?
arXiv (Cornell University)·2023Open Access
A Fully Quantum-Mechanical Treatment for Kaolinite
arXiv (Cornell University)·2023Open Access
Global Free-Energy Landscapes as a Smoothly Joined Collection of Local Maps
Journal of Chemical Theory and Computation·2021Open Access
Global free energy landscapes as a smoothly joined collection of local\n maps
arXiv (Cornell University)·2020· 19 citedOpen Access
Combining Machine Learning and Enhanced Sampling Techniques for Efficient and Accurate Calculation of Absolute Binding Free Energies
Journal of Chemical Theory and Computation·2020· 43 citedOpen Access
Iterative Unbiasing\nof Quasi-Equilibrium Sampling
Figshare·2019Open Access
Iterative Unbiasing of Quasi-Equilibrium Sampling
Journal of Chemical Theory and Computation·2019· 3 citedOpen Access
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Frequent Co-authors

Michele Parrinello(15), Michele Ceriotti(13), Ben Slater(8), Angelos Michaelides(7), Jorge Kohanoff(6), Gabriele C. Sosso(5), Giovanni Bussi(4), Federico Giberti(4), Kim E. Jelfs(4), Maeve McAllister(4), Bin Gu(4), Massimiliano Bonomi(3), Carlo Camilloni(3), Davide Donadio(3), Piero Gasparotto(3), Francesco Luigi Gervasio(3), Matteo Salvalaglio(3), Bingqing Cheng(3), Ding Pan(3), Yuandong Niu(3)