Conference Contributions

Main content

The δ-Thermostat: Selective normal-modes excitation by colored-noise Langevin dynamics.
Michele Ceriotti, and Michele Parrinello
Procedia computer science, (2010) Amsterdam: Elsevier.
CARB 22-Substrate distortion in beta-glycoside hydrolases: Insights from first-principles simulations.
Xevi Biarnes, Albert Ardevol, Alessandro Laio, Michele Parrinello, Antoni Planas, and Carme Rovira
Abstracts of Scientific Papers, (2008) Washington, DC, USA: American Chemical Society.
Stochastic thermostats. comparison of local and global schemes.
Giovanni Bussi, and Michele Parrinello
Computer physics communications, (2008) Amsterdam: Elsevier.
Charge localisation and hopping in DNA.
M. Boero, F. L. Gervasio, and Michele Parrinello
Molecular simulation, (2007) Reading: Taylor & Francis.
Novel high-pressure phases. Theory and experiment.
Artem R. Oganov, Shigeaki Ono, Roman Martonak, Alessandro Laio, Paolo Raiteri, and Michele Parrinello
Acta crystallographica. Section A, Crystal physics, diffraction, theoretical and general crystallography, (2005) Copenhagen: Munksgaard.
Toward a Monte Carlo program for simulating vapor-liquid phase equilibria from first principles.
Matthew J. McGrath, J. Ilja Siepmann, I-Feng W. Kuo, Christopher J. Mundy, Joost VandeVondele, Michiel Sprik, Jürg Hutter, Fawzi Mohamed, Matthias Krack, and Michele Parrinello
Computer physics communications, (2005) Amsterdam: Elsevier.
New approach to efficiently explore the free energy surface, trace the reaction pathways and converge the free energy barriers.
B. Ensing, A. Laio, Michele Parrinello, and M.L. Klein
Abstracts of papers of the American Chemical Society, (2005) Washington, DC: American Chemical Society.
Ab-initio molecular dynamic study of phase-D at mantle conditions.
Sergey V. Churakov, Max W. Schmidt, and Michele Parrinello
Lithos, (2004) Amsterdam: Elsevier.
Simulating fluid phase equilibria from first principles.
M.J. McGrath, J.I. Siepmann, I.F.W. Kuo, C.J. Mundy, J.H.B. VandeVondele, M. Krack, F. Mohamed, and Michele Parrinello
Abstracts of papers of the American Chemical Society, (2004) Washington, DC: American Chemical Society.
 
 
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24.06.2017
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