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Publications by Michele Ceriotti

Determination and Evaluation of the Nonadditivity in Wetting of Molecularly Heterogeneous Surfaces

Proceedings of the National Academy of Sciences of the United States of America
Multidisciplinary
2019English

A Self-Learning Algorithm for Biased Molecular Dynamics

Proceedings of the National Academy of Sciences of the United States of America
Multidisciplinary
2010English

Solvent Fluctuations and Nuclear Quantum Effects Modulate the Molecular Hyperpolarizability of Water

Physical Review B
OpticalElectronicCondensed Matter PhysicsMagnetic Materials
2017English

Solid-Liquid Interfacial Free Energy Out of Equilibrium

Physical Review B
2015English

Atomic-Scale Representation and Statistical Learning of Tensorial Properties

ACS Symposium Series
ChemistryChemical Engineering
2019English

Large–Scale Computational Screening of Molecular Organic Semiconductors Using Crystal Structure Prediction

2018English

Large–Scale Computational Screening of Molecular Organic Semiconductors Using Crystal Structure Prediction

2018English

An Efficient and Accurate Decomposition of the Fermi Operator

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2008English

Ab Initiostudy of the Diffusion and Decomposition Pathways ofSiHxspecies on Si(100)

Physical Review B
2009English

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