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F. Zipoli · SciRah

Researcher profile · Semantic Scholar

F. Zipoli

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F. Zipoli — researcher profile on SciRah

h-index: 18
Works: 47
Citations: 1,128

Most-cited papers

Automated extraction of chemical synthesis actions from experimental procedures
A. Vaucher, F. Zipoli, Joppe Geluykens, Vishnu H. Nair +2 more
2019Nature Communications190 citations Open access
Semantic Scholar
Simulation of structural phase transitions by metadynamics
R. Martoňák, A. Laio, M. Bernasconi, C. Ceriani +3 more
2004112 citations Open access
Semantic Scholar
Multilevel Ultrafast Flexible Nanoscale Nonvolatile Hybrid Graphene Oxide-Titanium Oxide Memories.
V. K. Nagareddy, M. Barnes, F. Zipoli, K. Lai +3 more
2017ACS Nano106 citations Open access
Semantic Scholar
Collective Structural Relaxation in Phase‐Change Memory Devices
M. Le Gallo, D. Krebs, F. Zipoli, M. Salinga +1 more
2018Advanced Electronic Materials78 citations Open access
Semantic Scholar
Structural origin of resistance drift in amorphous GeTe
F. Zipoli, D. Krebs, A. Curioni
201660 citations
Semantic Scholar
Unraveling Molecular Structure: A Multimodal Spectroscopic Dataset for Chemistry
Marvin Alberts, Oliver Schilter, F. Zipoli, Nina Hartrampf +1 more
2024Neural Information Processing Systems54 citations
Semantic Scholar
Accelerating material design with the generative toolkit for scientific discovery
Matteo Manica, Jannis Born, Joris Cadow, Dimitrios Christofidellis +20 more
2022npj Computational Materials49 citations Open access
Semantic Scholar
Simulating Diffusion Properties of Solid‐State Electrolytes via a Neural Network Potential: Performance and Training Scheme
Aris Marcolongo, Tobias Binninger, F. Zipoli, T. Laino
2019ChemSystemsChem45 citations Open access
Semantic Scholar
Quality of uncertainty estimates from neural network potential ensembles.
L. Kahle, F. Zipoli
2021Physical Review E37 citations Open access
Semantic Scholar
Oxidation state changes and electron flow in enzymatic catalysis and electrocatalysis through Wannier-function analysis.
P. Sit, F. Zipoli, Jia Chen, R. Car +2 more
2011Chemistry32 citations
Semantic Scholar
Simulation of electrocatalytic hydrogen production by a bioinspired catalyst anchored to a pyrite electrode.
F. Zipoli, R. Car, M. H. Cohen, A. Selloni
2010Journal of the American Chemical Society31 citations
Semantic Scholar
Constant pressure reactive molecular dynamics simulations of phase transitions under pressure: The graphite to diamond conversion revisited
F. Zipoli, M. Bernasconi, R. Martoňák
200428 citations
Semantic Scholar
Inherent stochasticity in phase-change memory devices
M. Le Gallo, Tomáš Tůma, F. Zipoli, A. Sebastian +1 more
2016European Solid-State Device Research Conference26 citations
Semantic Scholar
Electron-phonon coupling in halogen-doped carbon clathrates from first principles
F. Zipoli, M. Bernasconi, G. Benedek
200624 citations
Semantic Scholar
Learning a reactive potential for silica-water through uncertainty attribution
Swagata Roy, Johannes P. Dürholt, Thomas S Asche, F. Zipoli +1 more
2023Nature Communications21 citations Open access
Semantic Scholar
First principles study of Ge∕Si exchange mechanisms at the Si(001) surface
F. Zipoli, S. Cereda, Michele Ceriotti, M. Bernasconi +2 more
200821 citations Open access
Semantic Scholar
Improved coarse-grained model for molecular-dynamics simulations of water nucleation.
F. Zipoli, T. Laino, S. Stolz, E. Martin +2 more
2013Journal of Chemical Physics20 citations
Semantic Scholar
First principles study of three-dimensional polymers of C-60: Structure, electronic properties, and Raman spectra
F. Zipoli, M. Bernasconi
200818 citations
Semantic Scholar
Reactive potential for the study of phase-change materials: GeTe
F. Zipoli, A. Curioni
201317 citations Open access
Semantic Scholar
Prediction of Phase Diagrams and Associated Phase Structural Properties
F. Zipoli, Victor Viterbo, Oliver Schilter, L. Kahle +1 more
2022Industrial & Engineering Chemistry Research15 citations Open access
Semantic Scholar
Temperature Evolution in Nanoscale Carbon-Based Memory Devices Due to Local Joule Heating
T. Bachmann, A. Alexeev, W. Koelmans, F. Zipoli +10 more
2017IEEE transactions on nanotechnology15 citations Open access
Semantic Scholar
Theoretical Design by First Principles Molecular Dynamics of a Bioinspired Electrode-Catalyst System for Electrocatalytic Hydrogen Production from Acidified Water.
F. Zipoli, R. Car, M. H. Cohen, A. Selloni
2010Journal of Chemical Theory and Computation14 citations
Semantic Scholar
Combining Bayesian optimization and automation to simultaneously optimize reaction conditions and routes
Oliver Schilter, Daniel Pacheco Gutiérrez, Linnea M. Folkmann, Alessandro Castrogiovanni +4 more
2024Chemical Science13 citations Open access
Semantic Scholar
Ab initio simulation of the grafting of phenylacetylene on hydrogenated surfaces of crystalline silicon catalyzed by a Lewis acid.
F. Zipoli, M. Bernasconi
2006Journal of Physical Chemistry B12 citations
Semantic Scholar
A QUICKSTEP-based quantum mechanics/molecular mechanics approach for silica.
F. Zipoli, T. Laino, A. Laio, M. Bernasconi +1 more
2006Journal of Chemical Physics12 citations
Semantic Scholar
An Information Extraction and Knowledge Graph Platform for Accelerating Biochemical Discoveries
Matteo Manica, Christoph Auer, Valéry Weber, F. Zipoli +8 more
2019arXiv.org11 citations
Semantic Scholar
Growing strings in a chemical reaction space for searching retrosynthesis pathways
F. Zipoli, Carlo Baldassari, Matteo Manica, Jannis Born +1 more
2024npj Computational Materials10 citations Open access
Semantic Scholar
Hydrogen production by the naked active site of the di-iron hydrogenases in water.
F. Zipoli, R. Car, M. H. Cohen, A. Selloni
2009Journal of Physical Chemistry B9 citations
Semantic Scholar
Mechanism of H2 production by the [FeFe]H subcluster of di-iron hydrogenases: implications for abiotic catalysts.
C. Sbraccia, F. Zipoli, R. Car, M. H. Cohen +2 more
2008Journal of Physical Chemistry B9 citations
Semantic Scholar
Simulation of the grafting of organosilanes at the surface of dry amorphous silica
F. Zipoli, D. Donadio, M. Bernasconi
20088 citations Open access
Semantic Scholar
GT4SD: Generative Toolkit for Scientific Discovery
Matteo Manica, Joris Cadow, Dimitrios Christofidellis, Ashish Dave +20 more
2022arXiv.org6 citations
Semantic Scholar
The solid-state Li-ion conductor Li7TaO6: A combined computational and experimental study
L. Kahle, Cheng Xi, Tobias Binninger, S. Lacey +7 more
20196 citations Open access
Semantic Scholar
Electrocatalyst design from first principles: A hydrogen-production catalyst inspired by nature
F. Zipoli, R. Car, M. H. Cohen, A. Selloni
20116 citations
Semantic Scholar
Completion of partial chemical equations
F. Zipoli, Zeineb Ayadi, P. Schwaller, Teodoro Laino +1 more
2024Machine Learning: Science and Technology5 citations Open access
Semantic Scholar
Unveiling the Secrets of 1 H-NMR Spectroscopy: A Novel Approach Utilizing Attention Mechanisms
Oliver Schilter, Marvin Alberts, F. Zipoli, A. Vaucher +2 more
4 citations
Semantic Scholar
A theoretical approach to modeling the amorphous phase of GeTe for PCM
F. Zipoli, A. Curioni
20133 citations
Semantic Scholar
Fuelling the Digital Chemistry Revolution with Language Models.
Antonio Cardinale, Alessandro Castrogiovanni, Théophile Gaudin, Joppe Geluykens +9 more
2023Chimia (Basel)2 citations Open access
Semantic Scholar
Generative Toolkit for Scientiﬁc Discovery
Matteo Manica, Jannis Born, Joris Cadow, Dimitrios Christofidellis +21 more
20221 citations
Semantic Scholar
Advanced Data-Driven Manufacturing
Théophile Gaudin, Oliver Schilter, F. Zipoli, T. Laino
2020ERCIM News1 citations
Semantic Scholar
Joule heating effects in nanoscale carbon-based memory devices
T. Bachmann, A. Alexeev, W. Koelmans, F. Zipoli +10 more
20161 citations
Semantic Scholar
Fueling the Digital Chemistry Revolution with Language Models
Antonio Cardinale, Alessandro Castrogiovanni, Théophile Gaudin, Joppe Geluykens +10 more
20230 citations
Semantic Scholar
Semiempirical molecular dynamics (SEMD) simulations: Parameterization and validation for biological systems precursors
F. Zipoli, M. Hijazi, Riccardo Petraglia, Valéry Weber +1 more
2018IBM Journal of Research and Development0 citations
Semantic Scholar
Tersoff-based potential for amorphous GeTe
F. Zipoli, A. Curioni
20120 citations
Semantic Scholar
Bioinspired catalyst/electrode system for hydrogen production
F. Zipoli, M. H. Cohen, R. Car, A. Selloni
20100 citations
Semantic Scholar
Effects of a water environment on the structure and H2 production of the [FeFe]H cluster of di-iron hydrogenase
F. Zipoli, R. Car, M. H. Cohen, G. Dismukes +1 more
20090 citations
Semantic Scholar
Subtle role played by H in Si thin-film growth from radicals: key atomic-scale mechanisms revealed by DFT calculations
F. Montalenti, S. Cereda, L. Miglio, F. Zipoli +2 more
20080 citations
Semantic Scholar
Ab-initio molecular dynamics simulation complex chemical reactions at surfaces
F. Zipoli, M. Bernasconi
20050 citations
Semantic Scholar

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