עקוב אחר
Michele Ceriotti
Michele Ceriotti
Associate Professor at EPFL, Institute of Materials
כתובת אימייל מאומתת בדומיין epfl.ch - דף הבית
כותרת
צוטט על ידי
צוטט על ידי
שנה
Gaussian process regression for materials and molecules‏
VL Deringer, AP Bartók, N Bernstein, DM Wilkins, M Ceriotti, G Csányi‏
Chemical Reviews 121 (16), 10073-10141, 2021‏
8992021
Promoting transparency and reproducibility in enhanced molecular simulations‏
Nature methods 16 (8), 670-673, 2019‏
8282019
Comparing molecules and solids across structural and alchemical space‏
S De, AP Bartók, G Csányi, M Ceriotti‏
Phys. Chem. Chem. Phys. 18, 13754, 2016‏
8022016
Machine Learning Unifies the Modelling of Materials and Molecules‏
AP Bartok, S De, C Poelking, N Bernstein, J Kermode, G Csanyi, ...‏
Science Advances 3 (12), e1701816, 2017‏
7422017
Nuclear Quantum Effects in Water and Aqueous Systems: Experiment, Theory, and Current Challenges‏
M Ceriotti, W Fang, PG Kusalik, RH McKenzie, A Michaelides, ...‏
Chemical Reviews 116, 7529, 2016‏
6542016
Physics-inspired structural representations for molecules and materials‏
F Musil, A Grisafi, AP Bartók, C Ortner, G Csányi, M Ceriotti‏
Chemical Reviews 121 (16), 9759-9815, 2021‏
4872021
Nuclear quantum effects enter the mainstream‏
TE Markland, M Ceriotti‏
Nature Reviews Chemistry 2 (3), 0109, 2018‏
4342018
Efficient stochastic thermostatting of path integral molecular dynamics‏
M Ceriotti, M Parrinello, TE Markland, DE Manolopoulos‏
The Journal of chemical physics 133, 124104, 2010‏
4202010
i-PI 2.0: A universal force engine for advanced molecular simulations‏
V Kapil, M Rossi, O Marsalek, R Petraglia, Y Litman, T Spura, B Cheng, ...‏
Computer Physics Communications 236, 214-223, 2019‏
3592019
Automatic Selection of Atomic Fingerprints and Reference Configurations for Machine-Learning Potentials‏
G Imbalzano, A Anelli, S Klees, M Ceriotti‏
The Journal of Chemical Physics 148, 241730, 2018‏
3492018
Simplifying the representation of complex free-energy landscapes using sketch-map‏
M Ceriotti, GA Tribello, M Parrinello‏
Proceedings of the National Academy of Sciences 108 (32), 13023-13028, 2011‏
3402011
Colored-noise thermostats à la carte‏
M Ceriotti, G Bussi, M Parrinello‏
Journal of Chemical Theory and Computation 6 (4), 1170-1180, 2010‏
3312010
Ab initio thermodynamics of liquid and solid water‏
B Cheng, EA Engel, J Behler, C Dellago, M Ceriotti‏
Proceedings of the National Academy of Sciences 116 (4), 1110-1115, 2019‏
3212019
i-PI: A Python interface for ab initio path integral molecular dynamics simulations‏
M Ceriotti, J More, DE Manolopoulos‏
Computer Physics Communications 185 (3), 1019-1026, 2014‏
3152014
Barely porous organic cages for hydrogen isotope separation‏
M Liu, L Zhang, MA Little, V Kapil, M Ceriotti, S Yang, L Ding, DL Holden, ...‏
Science 366 (6465), 613-620, 2019‏
3092019
Symmetry-Adapted Machine-Learning for Tensorial Properties of Atomistic Systems‏
A Grisafi, DM Wilkins, G Csányi, M Ceriotti‏
Physical Review Letters 120, 036002, 2018‏
3002018
Origins of structural and electronic transitions in disordered silicon‏
VL Deringer, N Bernstein, G Csányi, C Ben Mahmoud, M Ceriotti, ...‏
Nature 589 (7840), 59-64, 2021‏
2972021
Nuclear quantum effects in solids using a colored-noise thermostat‏
M Ceriotti, G Bussi, M Parrinello‏
Physical review letters 103 (3), 030603, 2009‏
2942009
Nuclear quantum effects and hydrogen bond fluctuations in water‏
M Ceriotti, J Cuny, M Parrinello, DE Manolopoulos‏
Proceedings of the National Academy of Sciences 110 (39), 15591-15596, 2013‏
2832013
A transferable machine-learning model of the electron density‏
A Grisafi, DM Wilkins, BAR Meyer, A Fabrizio, C Corminboeuf, M Ceriotti‏
ACS Central Science 5, 57, 2019‏
2762019
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מאמרים 1–20