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	1.	Direct path integral estimators for isotope fractionation ratios. [electronic resource] by Cheng, Bingqing Ceriotti, Michele Producer: 20150723 In: The Journal of chemical physics vol. 141 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	2.	Recognizing molecular patterns by machine learning: an agnostic structural definition of the hydrogen bond. [electronic resource] by Gasparotto, Piero Ceriotti, Michele Producer: 20150521 In: The Journal of chemical physics vol. 141 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	3.	Bridging the gap between atomistic and macroscopic models of homogeneous nucleation. [electronic resource] by Cheng, Bingqing Ceriotti, Michele Producer: 20170425 In: The Journal of chemical physics vol. 146 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	4.	Efficient methods and practical guidelines for simulating isotope effects. [electronic resource] by Ceriotti, Michele Markland, Thomas E Producer: 20130605 In: The Journal of chemical physics vol. 138 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	5.	Efficient first-principles calculation of the quantum kinetic energy and momentum distribution of nuclei. [electronic resource] by Ceriotti, Michele Manolopoulos, David E Producer: 20130305 In: Physical review letters vol. 109 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	6.	Conjugate gradient heat bath for ill-conditioned actions. [electronic resource] by Ceriotti, Michele Bussi, Giovanni Parrinello, Michele Producer: 20080206 In: Physical review. E, Statistical, nonlinear, and soft matter physics vol. 76 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	7.	Langevin equation with colored noise for constant-temperature molecular dynamics simulations. [electronic resource] by Ceriotti, Michele Bussi, Giovanni Parrinello, Michele Producer: 20090317 In: Physical review letters vol. 102 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	8.	Accelerated path integral methods for atomistic simulations at ultra-low temperatures. [electronic resource] by Uhl, Felix Marx, Dominik Ceriotti, Michele Producer: 20170125 In: The Journal of chemical physics vol. 145 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	9.	Nuclear Quantum Effects in Water at the Triple Point: Using Theory as a Link Between Experiments. [electronic resource] by Cheng, Bingqing Behler, Jörg Ceriotti, Michele Producer: 20180129 In: The journal of physical chemistry letters vol. 7 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	10.	Anharmonic and Quantum Fluctuations in Molecular Crystals: A First-Principles Study of the Stability of Paracetamol. [electronic resource] by Rossi, Mariana Gasparotto, Piero Ceriotti, Michele Producer: 20180126 In: Physical review letters vol. 117 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	11.	High order path integrals made easy. [electronic resource] by Kapil, Venkat Behler, Jörg Ceriotti, Michele Producer: 20170425 In: The Journal of chemical physics vol. 145 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12.	Nuclear quantum effects in solids using a colored-noise thermostat. [electronic resource] by Ceriotti, Michele Bussi, Giovanni Parrinello, Michele Producer: 20090915 In: Physical review letters vol. 103 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13.	How to remove the spurious resonances from ring polymer molecular dynamics. [electronic resource] by Rossi, Mariana Ceriotti, Michele Manolopoulos, David E Producer: 20150422 In: The Journal of chemical physics vol. 140 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	14.	Accelerating the convergence of path integral dynamics with a generalized Langevin equation. [electronic resource] by Ceriotti, Michele Manolopoulos, David E Parrinello, Michele Producer: 20110610 In: The Journal of chemical physics vol. 134 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	15.	Demonstrating the Transferability and the Descriptive Power of Sketch-Map. [electronic resource] by Ceriotti, Michele Tribello, Gareth A Parrinello, Michele Producer: 20151124 In: Journal of chemical theory and computation vol. 9 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	16.	Probing Defects and Correlations in the Hydrogen-Bond Network of ab Initio Water. [electronic resource] by Gasparotto, Piero Hassanali, Ali A Ceriotti, Michele Producer: 20161111 In: Journal of chemical theory and computation vol. 12 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	17.	Extracting the interfacial free energy and anisotropy from a smooth fluctuating dividing surface. [electronic resource] by Baldi, Edoardo Ceriotti, Michele Tribello, Gareth A Producer: 20180208 In: Journal of physics. Condensed matter : an Institute of Physics journal vol. 29 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	18.	The Gibbs free energy of homogeneous nucleation: From atomistic nuclei to the planar limit. [electronic resource] by Cheng, Bingqing Tribello, Gareth A Ceriotti, Michele Producer: 20180611 In: The Journal of chemical physics vol. 147 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	19.	A self-learning algorithm for biased molecular dynamics. [electronic resource] by Tribello, Gareth A Ceriotti, Michele Parrinello, Michele Producer: 20101122 In: Proceedings of the National Academy of Sciences of the United States of America vol. 107 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	20.	An efficient and accurate decomposition of the Fermi operator. [electronic resource] by Ceriotti, Michele Kühne, Thomas D Parrinello, Michele Producer: 20081024 In: The Journal of chemical physics vol. 129 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)

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Your search returned 43 results.