Michele Ceriotti - Publications

Affiliations: 
École Polytechnique Fédérale de Lausanne, Lausanne, Switzerland 
Website:
http://cosmo.epfl.ch/

110 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2020 Cheng B, Mazzola G, Pickard CJ, Ceriotti M. Evidence for supercritical behaviour of high-pressure liquid hydrogen. Nature. 585: 217-220. PMID 32908269 DOI: 10.1038/s41586-020-2677-y  0.6
2020 Zamani M, Imbalzano G, Tappy N, Alexander DTL, Martí-Sánchez S, Ghisalberti L, Ramasse QM, Friedl M, Tütüncüoglu G, Francaviglia L, Bienvenue S, Hébert C, Arbiol J, Ceriotti M, Fontcuberta I Morral A. 3D Ordering at the Liquid-Solid Polar Interface of Nanowires. Advanced Materials (Deerfield Beach, Fla.). e2001030. PMID 32762011 DOI: 10.1002/adma.202001030  0.32
2020 Veit M, Wilkins DM, Yang Y, DiStasio RA, Ceriotti M. Predicting molecular dipole moments by combining atomic partial charges and atomic dipoles. The Journal of Chemical Physics. 153: 024113. PMID 32668949 DOI: 10.1063/5.0009106  0.44
2020 Kapil V, Wilkins DM, Lan J, Ceriotti M. Inexpensive modeling of quantum dynamics using path integral generalized Langevin equation thermostats. The Journal of Chemical Physics. 152: 124104. PMID 32241150 DOI: 10.1063/1.5141950  0.44
2020 Cheng B, Ceriotti M, Tribello GA. Classical nucleation theory predicts the shape of the nucleus in homogeneous solidification. The Journal of Chemical Physics. 152: 044103. PMID 32007057 DOI: 10.1063/1.5134461  0.8
2020 Wang L, Ceriotti M, Markland TE. Quantum kinetic energy and isotope fractionation in aqueous ionic solutions. Physical Chemistry Chemical Physics : Pccp. PMID 31942581 DOI: 10.1039/c9cp06483d  0.4
2020 Poltavsky I, Kapil V, Ceriotti M, Kim KS, Tkatchenko A. Accurate description of nuclear quantum effects with high-order perturbed path integrals (HOPPI). Journal of Chemical Theory and Computation. PMID 31913625 DOI: 10.1021/acs.jctc.9b00881  0.4
2019 Fabrizio A, Grisafi A, Meyer B, Ceriotti M, Corminboeuf C. Electron density learning of non-covalent systems. Chemical Science. 10: 9424-9432. PMID 32055318 DOI: 10.1039/c9sc02696g  0.44
2019 Gasparotto P, Bochicchio D, Ceriotti M, Pavan GM. Identifying and Tracking Defects in Dynamic Supramolecular Polymers. The Journal of Physical Chemistry. B. PMID 31888337 DOI: 10.1021/acs.jpcb.9b11015  0.56
2019 Luo Z, Murello A, Wilkins DM, Kovacik F, Kohlbrecher J, Radulescu A, Okur HI, Ong QK, Roke S, Ceriotti M, Stellacci F. 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. PMID 31792179 DOI: 10.1073/pnas.1916180116  0.44
2019 Grisafi A, Ceriotti M. Incorporating long-range physics in atomic-scale machine learning. The Journal of Chemical Physics. 151: 204105. PMID 31779318 DOI: 10.1063/1.5128375  0.44
2019 Giberti F, Cheng B, Tribello GA, Ceriotti M. Iterative unbiasing of quasi-equilibrium sampling. Journal of Chemical Theory and Computation. PMID 31743021 DOI: 10.1021/acs.jctc.9b00907  0.8
2019 Liu M, Zhang L, Little MA, Kapil V, Ceriotti M, Yang S, Ding L, Holden DL, Balderas-Xicohténcatl R, He D, Clowes R, Chong SY, Schütz G, Chen L, Hirscher M, et al. Barely porous organic cages for hydrogen isotope separation. Science (New York, N.Y.). 366: 613-620. PMID 31672893 DOI: 10.1126/science.aax7427  0.4
2019 Engel EA, Anelli A, Hofstetter A, Paruzzo F, Emsley L, Ceriotti M. A Bayesian approach to NMR crystal structure determination. Physical Chemistry Chemical Physics : Pccp. PMID 31631196 DOI: 10.1039/c9cp04489b  0.32
2019 Kapil V, Engel E, Rossi M, Ceriotti M. An Assessment of Approximate Methods for Anharmonic Free Energies. Journal of Chemical Theory and Computation. PMID 31532997 DOI: 10.1021/acs.jctc.9b00596  0.4
2019 Yang Y, Lao KU, Wilkins DM, Grisafi A, Ceriotti M, DiStasio RA. Quantum mechanical static dipole polarizabilities in the QM7b and AlphaML showcase databases. Scientific Data. 6: 152. PMID 31427579 DOI: 10.1038/s41597-019-0157-8  0.44
2019 Helfrecht BA, Gasparotto P, Giberti F, Ceriotti M. Atomic Motif Recognition in (Bio)Polymers: Benchmarks From the Protein Data Bank. Frontiers in Molecular Biosciences. 6: 24. PMID 31058166 DOI: 10.3389/fmolb.2019.00024  0.76
2019 Kapil V, Wieme J, Vandenbrande S, Lamaire A, Van Speybroeck V, Ceriotti M. Modeling the structural and thermal properties of loaded metal-organic frameworks. An interplay of quantum and anharmonic fluctuations. Journal of Chemical Theory and Computation. PMID 31002500 DOI: 10.1021/acs.jctc.8b01297  0.4
2019 Wilkins DM, Grisafi A, Yang Y, Lao KU, DiStasio RA, Ceriotti M. Accurate molecular polarizabilities with coupled cluster theory and machine learning. Proceedings of the National Academy of Sciences of the United States of America. PMID 30733292 DOI: 10.1073/pnas.1816132116  0.44
2019 Grisafi A, Fabrizio A, Meyer B, Wilkins DM, Corminboeuf C, Ceriotti M. Transferable Machine-Learning Model of the Electron Density. Acs Central Science. 5: 57-64. PMID 30693325 DOI: 10.1021/acscentsci.8b00551  0.44
2019 Tocci G, Liang C, Wilkins DM, Roke S, Ceriotti M. Correction to "Second-Harmonic Scattering as a Probe of Structural Correlations in Liquids". The Journal of Physical Chemistry Letters. 524-525. PMID 30668126 DOI: 10.1021/acs.jpclett.9b00078  0.44
2019 Cheng B, Engel EA, Behler J, Dellago C, Ceriotti M. Ab initio thermodynamics of liquid and solid water. Proceedings of the National Academy of Sciences of the United States of America. PMID 30610171 DOI: 10.1073/pnas.1815117116  0.64
2018 Cheng B, Dellago C, Ceriotti M. Theoretical prediction of the homogeneous ice nucleation rate: disentangling thermodynamics and kinetics. Physical Chemistry Chemical Physics : Pccp. PMID 30412211 DOI: 10.1039/c8cp04561e  0.52
2018 Hellström M, Ceriotti M, Behler J. Nuclear Quantum Effects in Sodium Hydroxide Solutions from Neural Network Molecular Dynamics Simulations. The Journal of Physical Chemistry. B. PMID 30335385 DOI: 10.1021/acs.jpcb.8b06433  0.64
2018 Imbalzano G, Anelli A, Giofré D, Klees S, Behler J, Ceriotti M. Automatic selection of atomic fingerprints and reference configurations for machine-learning potentials. The Journal of Chemical Physics. 148: 241730. PMID 29960368 DOI: 10.1063/1.5024611  0.64
2018 Nguyen TT, Székely E, Imbalzano G, Behler J, Csányi G, Ceriotti M, Götz AW, Paesani F. Comparison of permutationally invariant polynomials, neural networks, and Gaussian approximation potentials in representing water interactions through many-body expansions. The Journal of Chemical Physics. 148: 241725. PMID 29960316 DOI: 10.1063/1.5024577  0.64
2018 Cheng B, Ceriotti M. Communication: Computing the Tolman length for solid-liquid interfaces. The Journal of Chemical Physics. 148: 231102. PMID 29935495 DOI: 10.1063/1.5038396  0.52
2018 Cheng B, Paxton AT, Ceriotti M. Hydrogen Diffusion and Trapping in α-Iron: The Role of Quantum and Anharmonic Fluctuations. Physical Review Letters. 120: 225901. PMID 29906144 DOI: 10.1103/PhysRevLett.120.225901  0.52
2018 Engel EA, Anelli A, Ceriotti M, Pickard CJ, Needs RJ. Mapping uncharted territory in ice from zeolite networks to ice structures. Nature Communications. 9: 2173. PMID 29872048 DOI: 10.1038/s41467-018-04618-6  0.6
2018 Hijazi M, Wilkins DM, Ceriotti M. Fast-forward Langevin dynamics with momentum flips. The Journal of Chemical Physics. 148: 184109. PMID 29764135 DOI: 10.1063/1.5029833  0.44
2018 Kapil V, Cuzzocrea A, Ceriotti M. The Anisotropy of the Proton Momentum Distribution in Water. The Journal of Physical Chemistry. B. PMID 29733649 DOI: 10.1021/acs.jpcb.8b03896  0.4
2018 Rossi M, Kapil V, Ceriotti M. Fine tuning classical and quantum molecular dynamics using a generalized Langevin equation. The Journal of Chemical Physics. 148: 102301. PMID 29544334 DOI: 10.1063/1.4990536  0.4
2018 Grisafi A, Wilkins DM, Csányi G, Ceriotti M. Symmetry-Adapted Machine Learning for Tensorial Properties of Atomistic Systems. Physical Review Letters. 120: 036002. PMID 29400528 DOI: 10.1103/PhysRevLett.120.036002  0.44
2018 Gasparotto P, Meissner R, Ceriotti M. Recognizing Local and Global Structural Motifs At the Atomic Scale. Journal of Chemical Theory and Computation. PMID 29298385 DOI: 10.1021/acs.jctc.7b00993  0.56
2017 Cheng B, Tribello GA, Ceriotti M. The Gibbs free energy of homogeneous nucleation: From atomistic nuclei to the planar limit. The Journal of Chemical Physics. 147: 104707. PMID 28915742 DOI: 10.1063/1.4997180  0.8
2017 Baldi E, Ceriotti M, Tribello GA. Extracting the Interfacial Free Energy and Anisotropy from a Smooth Fluctuating Dividing Surface. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 28853711 DOI: 10.1088/1361-648X/aa893d  0.8
2017 Cheng B, Ceriotti M. Bridging the gap between atomistic and macroscopic models of homogeneous nucleation. The Journal of Chemical Physics. 146: 034106. PMID 28109231 DOI: 10.1063/1.4973883  0.52
2016 Kapil V, Behler J, Ceriotti M. High order path integrals made easy. The Journal of Chemical Physics. 145: 234103. PMID 28010075 DOI: 10.1063/1.4971438  0.64
2016 Tocci G, Liang C, Wilkins DM, Roke S, Ceriotti M. Second Harmonic Scattering as a Probe of Structural Correlations in Liquids. The Journal of Physical Chemistry Letters. PMID 27726403 DOI: 10.1021/acs.jpclett.6b01851  0.44
2016 Rossi M, Gasparotto P, Ceriotti M. Anharmonic and Quantum Fluctuations in Molecular Crystals: A First-Principles Study of the Stability of Paracetamol. Physical Review Letters. 117: 115702. PMID 27661700 DOI: 10.1103/PhysRevLett.117.115702  0.56
2016 Uhl F, Marx D, Ceriotti M. Accelerated path integral methods for atomistic simulations at ultra-low temperatures. The Journal of Chemical Physics. 145: 054101. PMID 27497533 DOI: 10.1063/1.4959602  0.56
2016 Rossi M, Ceriotti M, Manolopoulos DE. Nuclear Quantum Effects in H(+) and OH(-) Diffusion along Confined Water Wires. The Journal of Physical Chemistry Letters. 3001-3007. PMID 27440483 DOI: 10.1021/acs.jpclett.6b01093  0.4
2016 Cheng B, Behler J, Ceriotti M. Nuclear Quantum Effects in Water at the Triple Point: Using Theory as a Link Between Experiments. The Journal of Physical Chemistry Letters. PMID 27203358 DOI: 10.1021/acs.jpclett.6b00729  1
2016 Chen Y, Okur HI, Gomopoulos N, Macias-Romero C, Cremer PS, Petersen PB, Tocci G, Wilkins DM, Liang C, Ceriotti M, Roke S. Electrolytes induce long-range orientational order and free energy changes in the H-bond network of bulk water. Science Advances. 2: e1501891. PMID 27152357 DOI: 10.1126/sciadv.1501891  0.44
2016 Ceriotti M, Fang W, Kusalik PG, McKenzie RH, Michaelides A, Morales MA, Markland TE. Nuclear Quantum Effects in Water and Aqueous Systems: Experiment, Theory, and Current Challenges. Chemical Reviews. PMID 27049513 DOI: 10.1021/acs.chemrev.5b00674  1
2016 Gasparotto P, Hassanali AA, Ceriotti M. Probing defects and correlations in the hydrogen-bond network of ab initio water. Journal of Chemical Theory and Computation. PMID 26881726 DOI: 10.1021/acs.jctc.5b01138  1
2016 Kapil V, VandeVondele J, Ceriotti M. Accurate molecular dynamics and nuclear quantum effects at low cost by multiple steps in real and imaginary time: Using density functional theory to accelerate wavefunction methods Journal of Chemical Physics. 144. DOI: 10.1063/1.4941091  1
2015 Ardevol A, Tribello GA, Ceriotti M, Parrinello M. Probing the Unfolded Configurations of a β-Hairpin Using Sketch-Map. Journal of Chemical Theory and Computation. 11: 1086-1093. PMID 26579758 DOI: 10.1021/ct500950z  1
2015 Cheng B, Tribello GA, Ceriotti M. Solid-liquid interfacial free energy out of equilibrium Physical Review B - Condensed Matter and Materials Physics. 92. DOI: 10.1103/PhysRevB.92.180102  1
2015 Ardevol A, Tribello GA, Ceriotti M, Parrinello M. Probing the unfolded configurations of a β-hairpin using sketch-map Journal of Chemical Theory and Computation. 11: 1086-1093. DOI: 10.1021/ct500950z  1
2014 Cheng B, Ceriotti M. Direct path integral estimators for isotope fractionation ratios. The Journal of Chemical Physics. 141: 244112. PMID 25554138 DOI: 10.1063/1.4904293  1
2014 Rossi M, Liu H, Paesani F, Bowman J, Ceriotti M. Communication: On the consistency of approximate quantum dynamics simulation methods for vibrational spectra in the condensed phase. The Journal of Chemical Physics. 141: 181101. PMID 25399122 DOI: 10.1063/1.4901214  1
2014 Gasparotto P, Ceriotti M. Recognizing molecular patterns by machine learning: an agnostic structural definition of the hydrogen bond. The Journal of Chemical Physics. 141: 174110. PMID 25381505 DOI: 10.1063/1.4900655  0.56
2014 Nava M, Ceriotti M, Dryzun C, Parrinello M. Evaluating functions of positive-definite matrices using colored-noise thermostats. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 89: 023302. PMID 25353600  1
2014 Giberti F, Hassanali AA, Ceriotti M, Parrinello M. The role of quantum effects on structural and electronic fluctuations in neat and charged water. The Journal of Physical Chemistry. B. 118: 13226-35. PMID 25286281 DOI: 10.1021/jp507752e  1
2014 Wang L, Ceriotti M, Markland TE. Quantum fluctuations and isotope effects in ab initio descriptions of water. The Journal of Chemical Physics. 141: 104502. PMID 25217932 DOI: 10.1063/1.4894287  1
2014 Rossi M, Ceriotti M, Manolopoulos DE. How to remove the spurious resonances from ring polymer molecular dynamics. The Journal of Chemical Physics. 140: 234116. PMID 24952532 DOI: 10.1063/1.4883861  1
2014 Ceriotti M, Heiligers J, McInnes CR. Trajectory and spacecraft design for a pole-sitter mission Journal of Spacecraft and Rockets. 51: 311-326. DOI: 10.2514/1.A32477  0.01
2014 Nava M, Ceriotti M, Dryzun C, Parrinello M. Evaluating functions of positive-definite matrices using colored-noise thermostats Physical Review E - Statistical, Nonlinear, and Soft Matter Physics. 89. DOI: 10.1103/PhysRevE.89.023302  1
2014 Ceriotti M. Ab initio simulation of particle momentum distributions in high-pressure water Journal of Physics: Conference Series. 571. DOI: 10.1088/1742-6596/571/1/012011  1
2014 Borggräfe A, Heiligers J, Ceriotti M, McInnes CR. Inverse problem for shape control of flexible space reflectors using distributed solar pressure Smart Materials and Structures. 23. DOI: 10.1088/0964-1726/23/7/075026  0.01
2014 Gasparotto P, Ceriotti M. Recognizing molecular patterns by machine learning: An agnostic structural definition of the hydrogen bond Journal of Chemical Physics. 141. DOI: 10.1063/1.4900655  1
2014 Giberti F, Hassanali AA, Ceriotti M, Parrinello M. The role of quantum effects on structural and electronic fluctuations in neat and charged water Journal of Physical Chemistry B. 118: 13226-13235. DOI: 10.1021/jp507752e  1
2014 Ceriotti M, More J, Manolopoulos DE. I-PI: A Python interface for ab initio path integral molecular dynamics simulations Computer Physics Communications. 185: 1019-1026. DOI: 10.1016/j.cpc.2013.10.027  1
2013 Ceriotti M, Tribello GA, Parrinello M. Demonstrating the Transferability and the Descriptive Power of Sketch-Map. Journal of Chemical Theory and Computation. 9: 1521-32. PMID 26587614 DOI: 10.1021/ct3010563  1
2013 McKown BG, Ceriotti M, Womack CC, Kamarchik E, Butler LJ, Bowman JM. Effects of high angular momentum on the unimolecular dissociation of CD2CD2OH: theory and comparisons with experiment. The Journal of Physical Chemistry. A. 117: 10951-63. PMID 24124756 DOI: 10.1021/jp407913t  1
2013 Ceriotti M, Cuny J, Parrinello M, Manolopoulos DE. Nuclear quantum effects and hydrogen bond fluctuations in water. Proceedings of the National Academy of Sciences of the United States of America. 110: 15591-6. PMID 24014589 DOI: 10.1073/pnas.1308560110  1
2013 Ceriotti M, Markland TE. Efficient methods and practical guidelines for simulating isotope effects. The Journal of Chemical Physics. 138: 014112. PMID 23298033 DOI: 10.1063/1.4772676  0.4
2013 Ceriotti M, Markland TE. Efficient methods and practical guidelines for simulating isotope effects Journal of Chemical Physics. 138. DOI: 10.1063/1.4772676  1
2013 Romanelli G, Ceriotti M, Manolopoulos DE, Pantalei C, Senesi R, Andreani C. Direct measurement of competing quantum effects on the kinetic energy of heavy water upon melting Journal of Physical Chemistry Letters. 4: 3251-3256. DOI: 10.1021/jz401538r  1
2013 Liu J, Andino RS, Miller CM, Chen X, Wilkins DM, Ceriotti M, Manolopoulos DE. A surface-specific isotope effect in mixtures of light and heavy water Journal of Physical Chemistry C. 117: 2944-2951. DOI: 10.1021/jp311986m  1
2013 Ceriotti M, Tribello GA, Parrinello M. Demonstrating the transferability and the descriptive power of sketch-map Journal of Chemical Theory and Computation. 9: 1521-1532. DOI: 10.1021/ct3010563  1
2012 Ceriotti M, Manolopoulos DE. Efficient first-principles calculation of the quantum kinetic energy and momentum distribution of nuclei. Physical Review Letters. 109: 100604. PMID 23005275 DOI: 10.1103/PhysRevLett.109.100604  1
2012 Hassanali AA, Cuny J, Ceriotti M, Pickard CJ, Parrinello M. The fuzzy quantum proton in the hydrogen chloride hydrates Journal of the American Chemical Society. 134: 8557-8569. PMID 22500856 DOI: 10.1021/ja3014727  1
2012 Tribello GA, Ceriotti M, Parrinello M. Using sketch-map coordinates to analyze and bias molecular dynamics simulations Proceedings of the National Academy of Sciences of the United States of America. 109: 5196-5201. PMID 22427357 DOI: 10.1073/pnas.1201152109  1
2012 Ceriotti M, Montalenti F, Bernasconi M. Density functional study of the decomposition pathways of SiH₃ and GeH₃ at the Si(100) and Ge(100) surfaces. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 24: 104002. PMID 22354872 DOI: 10.1088/0953-8984/24/10/104002  0.4
2012 Ceriotti M, Brain GAR, Riordan O, Manolopoulos DE. The inefficiency of re-weighted sampling and the curse of system size in high-order path integration Proceedings of the Royal Society a: Mathematical, Physical and Engineering Sciences. 468: 2-17. DOI: 10.1098/rspa.2011.0413  1
2012 Seel AG, Ceriotti M, Edwards PP, Mayers J. Simultaneous measurement of lithium and fluorine momentum in 7LiF Journal of Physics Condensed Matter. 24. DOI: 10.1088/0953-8984/24/36/365401  1
2012 Ceriotti M, Montalenti F, Bernasconi M. Density functional study of the decomposition pathways of SiH 3 and GeH 3 at the Si(100) and Ge(100) surfaces Journal of Physics Condensed Matter. 24. DOI: 10.1088/0953-8984/24/10/104002  1
2012 Ceriotti M, Diedrich BL, McInnes CR. Novel mission concepts for polar coverage: An overview of recent developments and possible future applications Acta Astronautica. 80: 89-104. DOI: 10.1016/j.actaastro.2012.04.043  0.01
2012 Ceriotti M, McInnes CR. Design of trajectories for continuous polar earth observation in the earth-moon system Proceedings of the International Astronautical Congress, Iac. 7: 5579-5590.  0.01
2012 Heiligers J, Ceriotti M, McInnes CR. Hybrid low-thrust transfers to eight-shaped orbits for polar observation Proceedings of the International Astronautical Congress, Iac. 7: 5464-5482.  0.01
2011 Ceriotti M, Tribello GA, Parrinello M. From the Cover: Simplifying the representation of complex free-energy landscapes using sketch-map. Proceedings of the National Academy of Sciences of the United States of America. 108: 13023-8. PMID 21730167 DOI: 10.1073/pnas.1108486108  1
2011 Ceriotti M, Manolopoulos DE, Parrinello M. Accelerating the convergence of path integral dynamics with a generalized Langevin equation. The Journal of Chemical Physics. 134: 084104. PMID 21361524 DOI: 10.1063/1.3556661  1
2011 Morrone JA, Markland TE, Ceriotti M, Berne BJ. Efficient multiple time scale molecular dynamics: Using colored noise thermostats to stabilize resonances. The Journal of Chemical Physics. 134: 014103. PMID 21218993 DOI: 10.1063/1.3518369  1
2011 Ceriotti M, McInnes CR. Generation of optimal trajectories for Earth hybrid pole sitters Journal of Guidance, Control, and Dynamics. 34: 847-859. DOI: 10.2514/1.50935  0.01
2011 Miceli G, Ceriotti M, Bernasconi M, Parrinello M. Static disorder and structural correlations in the low-temperature phase of lithium imide Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/PhysRevB.83.054119  1
2011 Ceriotti M, Tribello GA, Parrinello M. Simplifying the representation of complex free-energy landscapes using sketch-map Proceedings of the National Academy of Sciences of the United States of America. 108: 13023-13028. DOI: 10.1073/pnas.1108486108  1
2011 Miceli G, Ceriotti M, Angioletti-Uberti S, Bernasconi M, Parrinello M. First-principles study of the high-temperature phase of Li2NH Journal of Physical Chemistry C. 115: 7076-7080. DOI: 10.1021/jp200076p  1
2011 Ceriotti M, McInnes CR. Systems design of a hybrid sail pole-sitter Advances in Space Research. 48: 1754-1762. DOI: 10.1016/j.asr.2011.02.010  0.01
2011 Ceriotti M, McInnes CR. Hybrid solar sail and solar electric propulsion for novel Earth observation missions Acta Astronautica. 69: 809-821. DOI: 10.1016/j.actaastro.2011.06.007  0.01
2011 Ceriotti M, McInnes CR, Diedrich BL. The pole-sitter mission concept: An overview of recent developments and possible future applications 62nd International Astronautical Congress 2011, Iac 2011. 3: 2543-2559.  0.01
2010 Ceriotti M, Parrinello M, Markland TE, Manolopoulos DE. Efficient stochastic thermostatting of path integral molecular dynamics. The Journal of Chemical Physics. 133: 124104. PMID 20886921 DOI: 10.1063/1.3489925  1
2010 Tribello GA, Ceriotti M, Parrinello M. A self-learning algorithm for biased molecular dynamics Proceedings of the National Academy of Sciences of the United States of America. 107: 17509-17514. PMID 20876135 DOI: 10.1073/pnas.1011511107  1
2010 Ceriotti M, Miceli G, Pietropaolo A, Colognesi D, Nale A, Catti M, Bernasconi M, Parrinello M. Nuclear quantum effects in ab initio dynamics: Theory and experiments for lithium imide Physical Review B - Condensed Matter and Materials Physics. 82. DOI: 10.1103/PhysRevB.82.174306  1
2010 Angioletti-Uberti S, Ceriotti M, Lee PD, Finnis MW. Solid-liquid interface free energy through metadynamics simulations Physical Review B - Condensed Matter and Materials Physics. 81. DOI: 10.1103/PhysRevB.81.125416  1
2010 Ceriotti M, Bussi G, Parrinello M. Colored-noise thermostats àla Carte Journal of Chemical Theory and Computation. 6: 1170-1180. DOI: 10.1021/ct900563s  1
2010 Ceriotti M, Parrinello M. The δ-thermostat: Selective normal-modes excitation by colored-noise Langevin dynamics Procedia Computer Science. 1: 1607-1614. DOI: 10.1016/j.procs.2010.04.180  1
2009 Ceriotti M, Bussi G, Parrinello M. Nuclear quantum effects in solids using a colored-noise thermostat. Physical Review Letters. 103: 030603. PMID 19659261  1
2009 Ceriotti M, Bussi G, Parrinello M. Langevin equation with colored noise for constant-temperature molecular dynamics simulations. Physical Review Letters. 102: 020601. PMID 19257259 DOI: 10.1103/PhysRevLett.102.020601  1
2009 Ceriotti M, Bussi G, Parrinello M. Nuclear quantum effects in solids using a colored-noise thermostat Physical Review Letters. 103. DOI: 10.1103/PhysRevLett.103.030603  1
2009 Ceriotti M, Cereda S, Montalenti F, Miglio L, Bernasconi M. Ab initio study of the diffusion and decomposition pathways of SiHx species on Si(100) Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/PhysRevB.79.165437  1
2009 Ceriotti M, Kühne TD, Parrinello M. A hybrid approach to Fermi operator expansion Aip Conference Proceedings. 1148: 658-661. DOI: 10.1063/1.3225396  1
2008 Ceriotti M, Kühne TD, Parrinello M. An efficient and accurate decomposition of the Fermi operator. The Journal of Chemical Physics. 129: 024707. PMID 18624552 DOI: 10.1063/1.2949515  1
2008 Zipoli F, Cereda S, Ceriotti M, Bernasconi M, Miglio L, Montalenti F. First principles study of GeSi exchange mechanisms at the Si(001) surface Applied Physics Letters. 92. DOI: 10.1063/1.2926683  1
2007 Ceriotti M, Bussi G, Parrinello M. Conjugate gradient heat bath for ill-conditioned actions. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 76: 026707. PMID 17930174 DOI: 10.1103/PhysRevE.76.026707  1
2007 Ceriotti M, Bernasconi M. Diffusion and desorption of Si H3 on hydrogenated H:Si (100) - (2×1) from first principles Physical Review B - Condensed Matter and Materials Physics. 76. DOI: 10.1103/PhysRevB.76.245309  1
2007 Cereda S, Ceriotti M, Montalenti F, Bernasconi M, Miglio L. Quantitative estimate of H abstraction by thermal Si H3 on hydrogenated Si (001) (2×1) Physical Review B - Condensed Matter and Materials Physics. 75. DOI: 10.1103/PhysRevB.75.235311  1
2006 Ceriotti M, Ferrando R, Montalenti F. Impact-driven effects in thin-film growth: steering and transient mobility at the Ag(110) surface. Nanotechnology. 17: 3556-62. PMID 19661604 DOI: 10.1088/0957-4484/17/14/033  1
2006 Ceriotti M, Pietrucci F, Bernasconi M. Ab initio study of the vibrational properties of crystalline TeO2: The α, β, and γ phases Physical Review B - Condensed Matter and Materials Physics. 73. DOI: 10.1103/PhysRevB.73.104304  1
Show low-probability matches.