Michele Parrinello fisico italiano
Parrinello, M.
Parrinello, Michele 1945-....
Parrinello, Michele
VIAF ID: 51770238 (Personal)
Permalink: http://viaf.org/viaf/51770238
Preferred Forms
- 100 0 _ ‡a Michele Parrinello ‡c fisico italiano
- 200 _ 1 ‡a Parrinello ‡b , Michele
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- 100 1 0 ‡a Parrinello, M.
- 100 1 _ ‡a Parrinello, M.
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- 100 1 _ ‡a Parrinello, M. (sparse)
- 100 1 _ ‡a Parrinello, Michele
- 100 1 _ ‡a Parrinello, Michele ‡d 1945-
4xx's: Alternate Name Forms (18)
5xx's: Related Names (4)
- 510 2 _ ‡a Eidgenössische Technische Hochschule Zürich ‡4 affi ‡4 https://d-nb.info/standards/elementset/gnd#affiliation ‡e Affiliation
- 551 _ _ ‡a Messina ‡4 ortg ‡4 https://d-nb.info/standards/elementset/gnd#placeOfBirth
- 510 2 _ ‡a Università della Svizzera italiana ‡4 affi ‡4 https://d-nb.info/standards/elementset/gnd#affiliation ‡e Affiliation
- 510 2 _ ‡a Università di Bologna ‡4 affi ‡4 https://d-nb.info/standards/elementset/gnd#affiliation ‡e Affiliation
Works
Title | Sources |
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Analytic solution of the mean spherical approximation for a multi-component plasma / M. Parrinello and M. P. Tosi | |
Collective effects in solids and liquids | |
From the Cover: Simplifying the representation of complex free-energy landscapes using sketch-map | |
Funnel metadynamics as accurate binding free-energy method | |
G-triplex structure and formation propensity | |
Gaussian Mixture Based Enhanced Sampling For Statics And Dynamics | |
General Protein Data Bank-Based Collective Variables for Protein Folding | |
Generalized Neural-Network Representation of High-Dimensional Potential-Energy Surfaces | |
Graphite-diamond phase coexistence study employing a neural-network mapping of theab initiopotential energy surface | |
HCl hydrates as model systems for protonated water. | |
Heterogeneous Crystallization of the Phase Change Material GeTe via Atomistic Simulations | |
Hot electrons and the approach to metallic behaviour in Kx(KCl)1 −x | |
How Collective Phenomena Impact CO2 Reactivity and Speciation in Different Media | |
Hydrogen bonding in water | |
Hydrogen oxidation reaction at the Ni/YSZ anode of solid oxide fuel cells from first principles. | |
Hydrogen storage in carbon nanotubes | |
Hydrolysis at stepped MgO surfaces | |
Identifying Slow Molecular Motions in Complex Chemical Reactions. | |
Influence of DNA structure on the reactivity of the guanine radical cation | |
Influence of temperature and anisotropic pressure on the phase transitions in alpha-cristobalite. | |
Insight into the folding inhibition of the HIV-1 protease by a small peptide | |
Kollektivnyje effekty v tverdych telach i židkostjach | |
A minimum free energy reaction path for the E2 reaction between fluoro ethane and a fluoride ion. | |
Nuclear quantum effects in solids using a colored-noise thermostat. | |
Nuclear quantum effects inab initiodynamics: Theory and experiments for lithium imide | |
Nucleation mechanism for the direct graphite-to-diamond phase transition | |
Nucleotide-dependent conformational states of actin | |
On the Accuracy of Molecular Simulation-based Predictions of koff Values: A Metadynamics Study | |
On the Quantum Nature of the Shared Proton in Hydrogen Bonds | |
On the recombination of hydronium and hydroxide ions in water | |
Overcoming time scale and finite size limitations to compute nucleation rates from small scale well tempered metadynamics simulations | |
Oxygen binding to iron-porphyrin: A density functional study using both LSD and LSD+GC schemes | |
Path integral molecular dynamics for fermions: Alleviating the sign problem with the Bogoliubov inequality | |
Phase selection and energetics in chiral alkaline Earth tartrates and their racemic and meso analogues: synthetic, structural, computational, and calorimetric studies | |
PLUMED: A portable plugin for free-energy calculations with molecular dynamics | |
Polaron theory of electrons solvated in molten salts | |
Polyamorphism of ice at low temperatures from constant-pressure simulations | |
Polymorphic transitions in single crystals: A new molecular dynamics method | |
A possible new highly stable fulleride cluster: Li12C60 | |
Predicting Crystal Structures: The Parrinello-Rahman Method Revisited | |
Predicting polymorphism in molecular crystals using orientational entropy | |
Prion protein β2-α2 loop conformational landscape | |
Probing the mechanical properties of hybrid inorganic-organic frameworks: a computational and experimental study | |
Probing the Unfolded Configurations of a β-Hairpin Using Sketch-Map. | |
Protein Conformational Plasticity: the “off-on” Switching Movement in Cdk5 | |
Protein Conformational Transitions: The Closure Mechanism of a Kinase Explored by Atomistic Simulations | |
Proton diffusion in crystalline silicon. | |
Proton transfer in heterocycle crystals | |
Proton transfer through the water gossamer. | |
Protonation state of the equatorial ligands and dynamics of the OH...O units in a cobaloxime biomimetic | |
Pulling monatomic gold wires with single molecules: an Ab initio simulation. | |
A quantitative measure of chirality inside nucleic acid databank. | |
Quantum Symmetry from Enhanced Sampling Methods | |
A recipe for the computation of the free energy barrier and the lowest free energy path of concerted reactions. | |
Reconstructing the density of states by history-dependent metadynamics. | |
Reconstructing the equilibrium Boltzmann distribution from well-tempered metadynamics. | |
Reconstruction of the diamond (111) surface | |
Refining Collective Coordinates and Improving Free Energy Representation in Variational Enhanced Sampling | |
Replica Temperatures for Uniform Exchange and Efficient Roundtrip Times in Explicit Solvent Parallel Tempering Simulations | |
Rethinking Metadynamics: From Bias Potentials to Probability Distributions | |
Role of conformational fluctuations in the enzymatic reaction of HIV-1 protease | |
Sampling protein motion and solvent effect during ligand binding | |
A self-learning algorithm for biased molecular dynamics | |
Signature of tetrahedral Ge in the Raman spectrum of amorphous phase-change materials. | |
Silicon Liquid Structure and Crystal Nucleation from Ab Initio Deep Metadynamics | |
Simple Molecular Systems at Very High Pressures: Computer simulation studies | |
Simulation of structural phase transitions by metadynamics | |
“Site Binding” of Ca2+Ions to Polyacrylates in Water: A Molecular Dynamics Study of Coiling and Aggregation | |
Solvation of radical cations in water--reactive or unreactive solvation? | |
Solvation states of HCl in mixed ether:acid crystals: a computational study | |
Solvent Effects on Charge Spatial Extent in DNA and Implications for Transfer | |
Stability and structure of oligomers of the Alzheimer peptide Abeta16-22: from the dimer to the 32-mer | |
Static and Dynamical Properties of Liquid Water from First Principles by a Novel Car-Parrinello-like Approach. | |
Static dieletric behavior of charged fluids near freezing / A. Fasolino, M. Parrinello, M.P. Tosi | |
Static disorder and structural correlations in the low-temperature phase of lithium imide | |
Stochastic thermostats: comparison of local and global schemes | |
Structural, electronic, and vibrational properties of Si(111)-2 x 1 from ab initio molecular dynamics. | |
A time-independent free energy estimator for metadynamics. | |
A variational conformational dynamics approach to the selection of collective variables in metadynamics. | |
Коллективные эффекты в твердых телах и жидкостях |