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Michele Parrinello

Identifiers

  • name variant Michele Parrinello 0.60 · backfill

Papers (66)

  1. Simulations of Crystal Nucleation from Solution at Constant Chemical Potential cond-mat.soft · 2019 · author #3
  2. Exhaustive Search of Ligand Binding Pathways via Volume-based Metadynamics physics.chem-ph · 2019 · author #3
  3. Naphthalene crystal shape prediction from molecular dynamics simulations physics.chem-ph · 2019 · author #6
  4. Accurate quantum chemical free energies at affordable cost physics.chem-ph · 2019 · author #2
  5. Augmented Harmonic Linear Discriminant Analysis cond-mat.stat-mech · 2019 · author #3
  6. Homogeneous nucleation of ice cond-mat.soft · 2019 · author #3
  7. Making the best of a bad situation: a multiscale approach to free energy calculation physics.comp-ph · 2019 · author #2
  8. Enhanced sampling of transition states physics.chem-ph · 2018 · author #3
  9. Multithermal-multibaric molecular simulations from a variational principle cond-mat.stat-mech · 2018 · author #2
  10. Silicon liquid structure and crystal nucleation from ab-initio deep Metadynamics physics.comp-ph · 2018 · author #2
  11. The onset of dehydrogenation in solid Ammonia Borane, an ab-initio metadynamics study physics.chem-ph · 2018 · author #5
  12. Finding Efficient Collective Variables: The Case of Crystallization physics.comp-ph · 2018 · author #5
  13. Metadynamics with Discriminants: a Tool for Understanding Chemistry physics.comp-ph · 2018 · author #3
  14. A local fingerprint for hydrophobicity and hydrophilicity: from methane to peptides physics.chem-ph · 2018 · author #3
  15. Folding a Small Protein Using Harmonic Linear Discriminant Analysis physics.comp-ph · 2018 · author #5
  16. A variational approach to nucleation simulation cond-mat.stat-mech · 2018 · author #3
  17. 3BrY nucleation: from dimers to needle-like clusters cond-mat.soft · 2018 · author #4
  18. Combining Metadynamics and Integrated Tempering Sampling physics.chem-ph · 2018 · author #3
  19. Quantum symmetry from enhanced sampling methods quant-ph · 2018 · author #3
  20. Chemical Potential Calculations in Non-Homogeneous Liquids physics.chem-ph · 2018 · author #3
  21. Path collective variables without paths physics.comp-ph · 2018 · author #3
  22. Frequency adaptive metadynamics for the calculation of rare-event kinetics physics.chem-ph · 2018 · author #4
  23. Conformational Entropy as Collective Variable for Proteins physics.chem-ph · 2017 · author #3
  24. A variational conformational dynamics approach to the selection of collective variables in metadynamics cond-mat.stat-mech · 2017 · author #2
  25. Enhancing entropy and enthalpy fluctuations to drive crystallization in atomistic simulations cond-mat.stat-mech · 2016 · author #3
  26. Dimer Metadynamics cond-mat.stat-mech · 2016 · author #4
  27. Chemical Potential Calculations In Dense Liquids Using Metadynamics physics.chem-ph · 2016 · author #3
  28. A perturbative solution to metadynamics ordinary differential equation physics.chem-ph · 2015 · author #3
  29. Overcoming timescale and finite-size limitations to compute nucleation rates from small scale Well Tempered Metadynamics simulations cond-mat.stat-mech · 2015 · author #5
  30. Variationally Optimized Free Energy Flooding for Rate Calculation cond-mat.stat-mech · 2015 · author #4
  31. Molecular Dynamics Simulations of Solutions at Constant Chemical Potential physics.chem-ph · 2015 · author #3
  32. A Variational Approach to Enhanced Sampling and Free Energy Calculations cond-mat.stat-mech · 2014 · author #2
  33. Evaluating functions of positive-definite matrices using colored noise thermostats physics.comp-ph · 2014 · author #4
  34. From Metadynamics to Dynamics cond-mat.stat-mech · 2013 · author #2
  35. Metadynamics with adaptive Gaussians cond-mat.stat-mech · 2012 · author #3
  36. Colored-noise thermostats \`a la carte physics.comp-ph · 2012 · author #3
  37. Accelerating the convergence of path integral dynamics with a generalized Langevin equation physics.comp-ph · 2012 · author #3
  38. Microscopic origins of the anomalous melting behaviour of high-pressure sodium cond-mat.mtrl-sci · 2011 · author #5
  39. Momentum distribution, vibrational dynamics and the potential of mean force in ice quant-ph · 2011 · author #4
  40. Nucleation mechanism for the direct graphite-to-diamond phase transition cond-mat.mtrl-sci · 2011 · author #5
  41. Nuclear quantum effects in ab initio dynamics: theory and experiments for lithium imide cond-mat.mtrl-sci · 2010 · author #8
  42. Static disorder and structural correlations in the low temperature phase of lithium imide cond-mat.mtrl-sci · 2010 · author #4
  43. A self-learning algorithm for biased molecular dynamics physics.comp-ph · 2010 · author #3
  44. Efficient stochastic thermostatting of path integral molecular dynamics cond-mat.stat-mech · 2010 · author #2
  45. Displaced path integral formulation for the momentum distribution of quantum particles physics.comp-ph · 2010 · author #4
  46. Ab initio quality study of the graphite-diamond phase coexistence cond-mat.mtrl-sci · 2010 · author #5
  47. Ab initio quality neural-network potential for sodium cond-mat.mtrl-sci · 2010 · author #5
  48. Nuclear quantum effects in solids using a colored-noise thermostat cond-mat.stat-mech · 2009 · author #3
  49. Isothermal-isobaric molecular dynamics using stochastic velocity rescaling cond-mat.stat-mech · 2009 · author #3
  50. Langevin equation with colored noise for constant-temperature molecular dynamics simulations cond-mat.stat-mech · 2008 · author #3
  51. A hybrid approach to Fermi operator expansion cond-mat.mtrl-sci · 2008 · author #3
  52. An efficient and accurate decomposition of the Fermi operator cond-mat.mtrl-sci · 2008 · author #3
  53. Equilibrium free energies from non-equilibrium metadynamics cond-mat.stat-mech · 2008 · author #3
  54. Conjugate gradient heatbath for ill-conditioned actions physics.comp-ph · 2008 · author #3
  55. Stochastic thermostats: comparison of local and global schemes physics.comp-ph · 2008 · author #2
  56. Accurate sampling using Langevin dynamics physics.comp-ph · 2008 · author #2
  57. Canonical sampling through velocity-rescaling cond-mat.stat-mech · 2008 · author #3
  58. Well-Tempered Metadynamics: A Smoothly Converging and Tunable Free-Energy Method cond-mat.stat-mech · 2008 · author #3
  59. Water on Pt(111): the importance of proton disorder cond-mat.mtrl-sci · 2007 · author #5
  60. An Efficient and Accurate Car-Parrinello-like Approach to Born-Oppenheimer Molecular Dynamics cond-mat.mtrl-sci · 2006 · author #4
  61. Linear scaling electronic structure calculations and accurate sampling with noisy forces cond-mat.mtrl-sci · 2005 · author #2
  62. Stochastic linear scaling for metals and non metals cond-mat.mtrl-sci · 2005 · author #2
  63. Topological defects and bulk melting of hexagonal ice cond-mat.stat-mech · 2005 · author #3
  64. Reconstructing the Density of States by History-Dependent Metadynamics cond-mat.stat-mech · 2004 · author #3
  65. A Concerted Variational Strategy for Investigating Rare Events cond-mat.mtrl-sci · 2002 · author #3
  66. An efficient k.p method for calculation of total energy and electronic density of states physics.comp-ph · 2001 · author #2

Mentions

  • 1510.01649 #3 · backfill · confidence 0.70 Michele Parrinello
  • 1508.01642 #5 · backfill · confidence 0.70 Michele Parrinello
  • 1506.02545 #4 · backfill · confidence 0.70 Michele Parrinello
  • 1501.07825 #3 · backfill · confidence 0.70 Michele Parrinello
  • 1407.0477 #2 · backfill · confidence 0.70 Michele Parrinello
  • 1402.2095 #4 · backfill · confidence 0.70 Michele Parrinello
  • 1309.5323 #2 · backfill · confidence 0.70 Michele Parrinello
  • 1205.4300 #3 · backfill · confidence 0.70 Michele Parrinello
  • 1204.0822 #3 · backfill · confidence 0.70 Michele Parrinello
  • 1202.4093 #3 · backfill · confidence 0.70 Michele Parrinello
  • 1110.2031 #5 · backfill · confidence 0.70 Michele Parrinello
  • 1102.0804 #4 · backfill · confidence 0.70 Michele Parrinello
  • 1101.1406 #5 · backfill · confidence 0.70 Michele Parrinello
  • 1009.2862 #8 · backfill · confidence 0.70 Michele Parrinello
  • 1009.1488 #4 · backfill · confidence 0.70 Michele Parrinello
  • 1009.1236 #3 · backfill · confidence 0.70 Michele Parrinello
  • 1009.1045 #2 · backfill · confidence 0.70 Michele Parrinello
  • 1004.0868 #4 · backfill · confidence 0.70 Michele Parrinello
  • 1002.2910 #5 · backfill · confidence 0.70 Michele Parrinello
  • 1002.2879 #5 · backfill · confidence 0.70 Michele Parrinello
  • 0903.4551 #3 · backfill · confidence 0.70 Michele Parrinello
  • 0901.0779 #3 · backfill · confidence 0.70 Michele Parrinello
  • 0812.1168 #3 · backfill · confidence 0.70 Michele Parrinello
  • 0809.2232 #3 · backfill · confidence 0.70 Michele Parrinello
  • 0805.2822 #3 · backfill · confidence 0.70 Michele Parrinello
  • 0804.0175 #3 · backfill · confidence 0.70 Michele Parrinello
  • 0803.4444 #3 · backfill · confidence 0.70 Michele Parrinello
  • 0803.4397 #2 · backfill · confidence 0.70 Michele Parrinello
  • 0803.4083 #2 · backfill · confidence 0.70 Michele Parrinello
  • 0803.4060 #3 · backfill · confidence 0.70 Michele Parrinello
  • 0803.3861 #3 · backfill · confidence 0.70 Michele Parrinello

Frequent Coauthors