Standout Papers

Escaping free-energy minima 2002 2026 2010 2018 4.2k
  1. Escaping free-energy minima (2002)
    Alessandro Laio, Michele Parrinello Proceedings of the National Academy of Sciences
  2. Clustering by fast search and find of density peaks (2014)
    Álex Rodríguez, Alessandro Laio Science
  3. Metadynamics: a method to simulate rare events and reconstruct the free energy in biophysics, chemistry and material science (2008)
    Alessandro Laio, Francesco Luigi Gervasio Reports on Progress in Physics
  4. Efficient Exploration of Reactive Potential Energy Surfaces Using Car-Parrinello Molecular Dynamics (2003)
    Marcella Iannuzzi, Alessandro Laio et al. Physical Review Letters
  5. Predicting Crystal Structures: The Parrinello-Rahman Method Revisited (2003)
    Roman Martoňák, Alessandro Laio et al. Physical Review Letters
  6. A Hamiltonian electrostatic coupling scheme for hybrid Car–Parrinello molecular dynamics simulations (2002)
    Alessandro Laio, Joost VandeVondele et al. The Journal of Chemical Physics
  7. Using metadynamics to explore complex free-energy landscapes (2020)
    Giovanni Bussi, Alessandro Laio Nature Reviews Physics
  8. Unsupervised Learning Methods for Molecular Simulation Data (2021)
    Aldo Glielmo, Brooke E. Husic et al. Chemical Reviews

Immediate Impact

17 by Nobel laureates 22 from Science/Nature 127 standout
Sub-graph 1 of 19

Citing Papers

De novo design of luciferases using deep learning
2023 StandoutNatureNobel
Machine Learning Methods for Small Data Challenges in Molecular Science
2023 Standout
186 intermediate papers

Works of Alessandro Laio being referenced

Unsupervised Learning Methods for Molecular Simulation Data
2021 Standout
Automated Parametrization of Biomolecular Force Fields from Quantum Mechanics/Molecular Mechanics (QM/MM) Simulations through Force Matching
2007
and 46 more

Author Peers

Author Last Decade Papers Cites
Alessandro Laio 8887 4311 4656 163 18.8k
Edward Teller 3266 5090 4854 110 26.4k
N. Metropolis 3210 4692 4628 69 26.4k
J. C. Phillips 12114 8181 7543 218 29.0k
David J. Wales 4867 9006 9605 469 21.6k
Frank Noé 9747 2056 3827 186 13.7k
Robert H. Swendsen 6353 5264 5545 142 19.3k
Robert Zwanzig 4062 8485 5292 130 18.8k
Attila Szabó 13035 8595 4998 204 25.2k
Giovanni Ciccotti 13764 8248 6678 210 28.4k
Eric Vanden‐Eijnden 5202 2950 2590 158 11.7k

All Works

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2026