PV Coveney
University College London
H-index: 80
Europe-United Kingdom
Top articles of PV Coveney
Optimal Molecular Design: Generative Active Learning Combining REINVENT with Absolute Binding Free Energy Simulations
2024/4/26
Uncertainty quantification of the impact of peripheral arterial disease on abdominal aortic aneurysms in blood flow simulations
Journal of the Royal Society Interface
2024/4/10
Practical Quantum Simulations from Error Mitigation and Qubit Subspace Techniques
2024/3/3
Calculating Energies in the Contextual Subspace
2024/3/3
Scalable approach to quantum simulation via projection-based embedding
Physical Review A
2024/2/13
Physics informed data-driven near-wall modelling for lattice Boltzmann simulation of high Reynolds number turbulent flows
arXiv preprint arXiv:2402.08037
2024/2/12
Quantifying uncertainties in direct numerical simulations of a turbulent channel flow
Physical Review Fluids
2023/7/10
Ensemble-Based Approaches Ensure Reliability and Reproducibility
Journal of Chemical Information and Modeling
2023/11/15
Global Ranking of the Sensitivity of Interaction Potential Contributions within Classical Molecular Dynamics Force Fields
2023/11/1
Software for Fusion Reactor Design: ExCALIBUR Project NEPTUNE: Towards Exascale Plasma Edge Simulations
2023/10/21
Pv Coveney
H-Index: 40
Steven A Wright
H-Index: 17
Comparison of Equilibrium and Nonequilibrium Approaches for Relative Binding Free Energy Predictions
Journal of Chemical Theory and Computation
2023/10/20
Benchmarking noisy intermediate scale quantum error mitigation strategies for ground state preparation of the HCl molecule
Physical Review Research
2023/10/17
Introduction to Computational Biomedicine
2023/9/14
Large‐Scale Molecular Dynamics Elucidates the Mechanics of Reinforcement in Graphene‐Based Composites
Advanced Materials
2023/9
Non-Gaussian distributions of absolute free energies in ensemble molecular dynamics simulations
2023/7/25
Periodic orbits in chaotic systems simulated at low precision
Scientific Reports
2023/7/14
Structure and dynamics of an archetypal DNA nanoarchitecture revealed via cryo-EM and molecular dynamics simulations
Nature Communications
2023/6/19
Long Time Scale Ensemble Methods in Molecular Dynamics: Ligand–Protein Interactions and Allostery in SARS-CoV-2 Targets
Journal of Chemical Theory and Computation
2023/5/29
Uncertainty quantification of the lattice Boltzmann method focussing on studies of human-scale vascular blood flow
2023/5/9
2023 World Scientific Publishing Company
Analysis, Cryptography And Information Science
2023/5/30