Giorgia Fugallo

Complete Name: 
Giorgia Fugallo
+33 (0)1 69 33 44 81
Bât PhyMeca 83-20-11

European Theoretical Spectroscopy Facility (ETSF) Laboratoire des Solides Irradiés, École Polytechnique, 91128 Palaiseau cedex, France.

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Research Teams
Research Lines: 
Layered materials and Nanotubes
Loss Spectroscopy and Excitons
Research Topics and Interests

Current research topics

Spectroscopies: photoemission, EELS/IXS, absorption.
Theoretical characterization of the momentum dependence and anisotropy of neutral excitations in 2D systems and 3D layered materials.
Method: Many-body perturbation theory, TDDFT.

Fields of expertise from previous works:

Thermal Transport. Theoretical and numerical development of first principles methods for accurate and parameter-free calculations of thermal properties of 3D and 2D materials.
Method: Density Functional Perturbation theory.

Phase Transitions Under Pressure  & Crystal Structure Prediction.
Understanding the microscopic mechanisms of structural transformations in nanomaterials and biomolecules using a range of methodologies, in particular Metadynamics for the free energy sampling.
Method: Classical - tight binding and ab initio Molecular Dynamics.


[16] M. Markov, J. Sjakste, G. Fugallo, L. Paulatto, F. Mauri, M.Lazzeri, N. Vast,i Hydrodynamic heat transport regime in bismuth : A theoretical viewpoint With Referees (2017).

[15] H. Henck, D. Pierucci, G. Fugallo, Y. J. Dappe, M. G. Silly, C. Chen, B. Gil, M. Gatti, F. Sottile, F.Sirotti, M.C. Asensio, and A. Ouergh, Direct Observation of the Band Structure in Bulk Hexagona Boron Nitridel . Phys. Rev. B 95, 085410 (2017).

[14] D. Campi, L. Paulatto, G. Fugallo, F. Mauri, M. Bernascon First principles calculation of lattice thermal conductivity in crystalline phase change materials: GeTe, Sb2Te3 and Ge2Sb2Te5 . Phys. Rev. B 95, 024311 (2017)

[13] J. Koskelo, G. Fugallo, M. Hakala, M. Gatti, F. Sottile, P. Cudazzo, Excitons in van der Waals materials: from monolayer to bulk hexagonal boron nitride . Phys. Rev. B 95, 035125 (2017)

[12] G. Barbarino, G. Fugallo, C. Melis, F. Mauri, L. Colombo,
Predicting the thermal conductivity
in a graphene nanoflake from its response to a thermal impulse . Phys. Rev. B 94 (24), 245437 (2016).

[11] M. Markov, J. Sjakste, G. Fugallo, L. Paulatto, F. Mauri, M.Lazzeri, N. Vast Nanoscale mechanisms for the reduction of heat transport in bismuth. Phys. Rev. B 93 (6), 064301 (2016).

[10] G. Fugallo, M. Aramini, J. Koskelo, K. Watanabe, T. Taniguchi, M. Hakala, S. Huotari, M. Gatti, F. Sottile Exciton energy-momentum map of hexagonal boron nitride, Phys. Rev. B 92 (16),165122 (2015).

[9] D. Botten, G. Fugallo, F. Fraternali, C. Molteni, Structural Properties of Green Tea Catechins, J. Phys. Chem. B 119(40), 12860-7 (2015).

[8] A Cepellotti*, G. Fugallo*, L Paulatto, M Lazzeri, F Mauri, N Marzari Phonon hydrodynamics in two-dimensional materials Nature Comm. 6, 6400 (2015).

[7] G. Fugallo, A Cepellotti, L Paulatto, M Lazzeri, N Marzari, F Mauri Thermal Conductivity of Graphene and Graphite: Collective Excitations and Mean Free Paths Nano letters 14 (11), 6109-611 (2014).

[6] G. Fugallo and A. Mattoni, Thermally induced recrystallization of textured hydrogenated nanocrystalline silicon, Phys. Rev. B, 89, 045301 (2014).

[5] G. Fugallo, L. Paulatto, M. Lazzeri and F. Mauri, Ab initio variational approach for evaluating lattice thermal conductivity, Phys. Rev. B, 88, 045430 (2013).

[4] D. Botten, G. Fugallo, F. Fraternali, C. Molteni, A Computational Exploration of the Interactions of the Green Tea Polyphenol (−)-Epigallocatechin 3-Gallate with Cardiac Muscle Troponin C, PLoSONE 8, 7, e70556 (2013).

[3]C. Bealing, G. Fugallo, R. Martonak, C. Molteni, Constant pressure molecular dynamics simulations for ellipsoidal, cylindrical and cuboidal nano-objects based on inertia tensor information, Phys.Chem. Chem. Phys., 12, 8542 - 8550 (2010).

[2] L. Bagolini, A. Mattoni, G. Fugallo, L. Colombo, E. Poliani, S. Sanguinetti, E. Grilli Quantum confinement phenomena in nanocrystalline silicon, Phys. Rev. Lett. 104, 176803 (2010).

[1] M. Ippolito, G. Fugallo, A. Mattoni, L. Colombo, Fracture in brittle materials: the atomic-scaleviewpoint, Strength, Fracture and Complexity, 3, 89 (2005).