Federico Zipoli  Federico Zipoli photo       

contact information

Research Staff Member
Zurich Research Laboratory, Zurich, Switzerland
  +41dash44dash724dash89dash15

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2016

Structural origin of resistance drift in amorphous GeTe
Federico Zipoli, Daniel Krebs, Alessandro Curioni
Physical Review B 93(11), 115201, 2016


2013

Improved coarse-grained model for molecular-dynamics simulations of water nucleation
Federico Zipoli, Teodoro Laino, Steffen Stolz, Elyette Martin, Christoph Winkelmann, Alessandro Curioni
The Journal of Chemical Physics 139(9), 094501, 2013

Reactive potential for the study of phase-change materials: GeTe
Federico Zipoli, Alessandro Curioni
New Journal of Physics 15(12), 123006, 2013


2011

Electrocatalyst design from first principles: A hydrogen-production catalyst inspired by nature
Zipoli, Federico and Car, Roberto and Cohen, Morrel H and Selloni, Annabella
Catalysis today 165(1), 160--170, Elsevier, 2011

Oxidation State Changes and Electron Flow in Enzymatic Catalysis and Electrocatalysis through Wannier-Function Analysis
Patrick H-L Sit, Federico Zipoli, Jia Chen, Roberto Car, Morrel H Cohen, Annabella Selloni
Chemistry - A European Journal 17(43), 12136-12143, 2011


2010

Theoretical Design by First Principles Molecular Dynamics of a Bioinspired Electrode- Catalyst System for Electrocatalytic Hydrogen Production from Acidified Water
Zipoli, Federico and Car, Roberto and Cohen, Morrel H and Selloni, Annabella
Journal of chemical theory and computation 6(11), 3490--3502, ACS Publications, 2010

Simulation of electrocatalytic hydrogen production by a bioinspired catalyst anchored to a pyrite electrode
Zipoli, Federico and Car, Roberto and Cohen, Morrel H and Selloni, Annabella
Journal of the American Chemical Society 132(25), 8593--8601, ACS Publications, 2010


2009

PHYS 154-Effects of a water environment on the structure and H2 production of the [FeFe] H cluster of di-iron hydrogenase
Zipoli, Federico and Car, Roberto and Cohen, Morrel H and Dismukes, G Charles and Selloni, Annabella
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2009

Effects of a water environment on the structure and H2 production of the [FeFe] H cluster of di-iron hydrogenase
Zipoli, Federico and Car, Roberto and Cohen, Morrel H and Dismukes, G Charles and Selloni, Annabella
237th National Meeting and Exposition of the American Chemical Society, ACS 2009

Hydrogen production by the naked active site of the di-iron hydrogenases in water
Zipoli, Federico and Car, Roberto and Cohen, Morrel H and Selloni, Annabella
The Journal of Physical Chemistry B 113(39), 13096--13106, ACS Publications, 2009


2008

INOR 86-Mechanism of H2 production by the [FeFe] H subcluster of di-iron hydrogenases
Sbraccia, Carlo and Zipoli, Federico and Car, Roberto and Cohen, Morrel H and Dismukes, G Charles and Selloni, Annabella
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2008

Mechanism of H2 Production by the [FeFe] H Subcluster of Di-Iron Hydrogenases: Implications for Abiotic Catalysts
Sbraccia, Carlo and Zipoli, Federico and Car, Roberto and Cohen, Morrel H and Dismukes, G Charles and Selloni, Annabella
The Journal of Physical Chemistry B 112(42), 13381--13390, ACS Publications, 2008


2006

Ab-initio study of three dimensional polymers of C60
Zipoli, Federico and Bernasconi, Marco
Research Activities on High Performance Computing Clusters at CILEA 2006

A QUICKSTEP-based quantum mechanics/molecular mechanics approach for silica
Federico Zipoli, Teodoro Laino, Alessandro Laio, Marco Bernasconi, Michele Parrinello
The Journal of Chemical Physics 124(15), 154707, 2006



2005

Ab-initio molecular dynamics simulation complex chemical reactions at surfaces
Zipoli, Federico and Bernasconi, Marco
2005 - CILEA, Milano http://www. aepic. it/ …

Simulation of structural phase transitions by metadynamics
Marto{v{n}}{'a}k, Roman and Laio, Alessandro and Bernasconi, Marco and Ceriani, Chiara and Raiteri, Paolo and Zipoli, Federico and Parrinello, Michele
Zeitschrift f{"u}r Kristallographie-Crystalline Materials 220(5/6), 489--498, 2005