Fausto Martelli  Fausto Martelli photo         

contact information

Research Staff Member
IBM Research Laboratory, UK



Water between membranes: Structure and Dynamics
Sotiris Samatas, Carles Calero, Fausto Martelli, Giancarlo Franzese
Biomembrane Simulations: Computational Studies of Biological Membranes, 69, CRC Press, 2019

Modulation of Antimicrobial Peptide Potency in Stressed Lipid Bilayers
V. Losasso, Y.-W. Hsiao, F. Martelli, M. D. Winn, J. Crain
Physical Review Letters 122(208103), 2019

Unravelling the contribution of local structures to the anomalies of water: The synergistic action of several factors
Fausto Martelli
The Journal of Chemical Physics150, 094506, 2019
Invited article; Most read article; featured in the IBM Research blog.


Searching for crystal-ice domains in amorphous ices
Fausto Martelli, Nicolas Giovambattista, Salvatore Torquato, Roberto Car
Physical Review Materials2, 075601, 2018
Featured in the Computational Chemistry Daily magazine

Root-Growth of Boron Nitride Nanotubes: Experiments and \textit{Ab Initio} Simulations
Biswajit Santra, Hsin-Yu Ko, Yao-Wen Yeh, Fausto Martelli, Igor Kaganovich, Yevgeny Raitses, Roberto Car
Nanoscale, Royal Society of Chemistry, 2018
Cover article

Structure factor of the primes
Zhang, Ge and Martelli, Fausto and Torquato, Salvatore
Journal of Physics A: Mathematical and Theoretical, IOP Publishing, 2018
Selected by the editors for inclusion in the exclusve 'Highlight of 2018' collection of Journal of Physics A; featured in Quantamagazine and ZME Science magazines.

Structural properties of water confined by phospholipid membranes
Martelli, Fausto and Ko, Hsin-Yu and Borallo, Carles Calero and Franzese, Giancarlo
Frontiers of Physics 13(1), 136801, Springer, 2018
Featured on the magazine ScienceTrends.com

Local-order metric for condensed-phase environments
Martelli, Fausto and Ko, Hsin-Yu and O{\u{g}}uz, Erdal C and Car, Roberto
Physical Review B 97(6), 064105, APS, 2018

Comment on: "The putative liquid-liquid transition is a liquid-solid transition in atomistic models of water" [I and II: J. Chem. Phys. 135, 134503 (2011); J. Chem. Phys. 138, 214504 (2013)]
Jeremy C. Palmer, Amir Haji-Akbari, Rakesh S. Singh, Fausto Martelli, Roberto Car, Athanassios Z. Panagiotopoulos and Pablo G. Debenedetti
The Journal of Chemical Physics148, 137101, 2018
Editor's pick


Large-Scale Structure and Hyperuniformity of Amorphous Ices
Fausto Martelli, Salvatore Torquato, Nicolas Giovambattista, Roberto Car
Phys. Rev. Lett.119, 136002, American Physical Society, 2017
Featured on: Phys.org; Materials Today; AZO Materials; Princeton University Press; DOE-Office of Science website; NSF website; ScienteNewline; ScienceDaily; ChemEurope; EurekAler!; Science360; Science Codex; Technology.org; Long Room; Innovations report;

Notes on the Hybrid Monte Carlo Method
Palmer, Jeremy C and Haji-Akbari, Amir and Singh, Rakesh S and Martelli, Fausto and Car, Roberto and Panagiotopoulos, Athanassios Z and Debenedetti, Pablo G
arXiv preprint arXiv:1712.08278, 2017


Palmer et. al. reply
Jeremy C. Palmer, Fausto Martelli, Yang Liu, Roberto Car, Athanassios Z. Panagiotopoulos & Pablo G. Debenedetti
Nature531, E2-E3, 2016

Density and bond-orientational relaxations in supercooled water
Palmer, Jeremy C and Singh, Rakesh S and Chen, Renjie and Martelli, Fausto and Debenedetti, Pablo G
Molecular Physics 114(18), 2580--2585, Taylor & Francis, 2016


Local structure analysis in ab initio liquid water
Santra, Biswajit and DiStasio Jr, Robert A and Martelli, Fausto and Car, Roberto
Molecular Physics 113(17-18), 2829--2841, Taylor & Francis, 2015


Hydration properties of lanthanoid (III) carbonate complexes in liquid water determined by polarizable molecular dynamics simulations
Martelli, Fausto and Jeanvoine, Yannick and Vercouter, Thomas and Beuchat, C{\'e}sar and Vuilleumier, Rodolphe and Spezia, Riccardo
Physical Chemistry Chemical Physics 16(8), 3693--3705, Royal Society of Chemistry, 2014

Metastable liquid--liquid transition in a molecular model of water
Palmer, Jeremy C and Martelli, Fausto and Liu, Yang and Car, Roberto and Panagiotopoulos, Athanassios Z and Debenedetti, Pablo G
Nature 510(7505), 385, Nature Publishing Group, 2014
Cover Article. Featured in: Phys.org; ScienceDaily; ScienceNewsline; R&D; EurekAlert!; Hispanic Business; reOrbit; Princeton University Press


Dealing with prime numbers I.: On the Goldbach conjecture
Martelli, Fausto
arXiv preprint arXiv:1309.5895, 2013

Hydration properties and ionic radii of actinide (III) ions in aqueous solution
D Angelo, Paola and Martelli, Fausto and Spezia, Riccardo and Filipponi, Adriano and Denecke, Melissa A
Inorganic chemistry 52(18), 10318--10324, ACS Publications, 2013


Varying the charge of small cations in liquid water: Structural, transport, and thermodynamical properties
Martelli, Fausto and Vuilleumier, Rodolphe and Simonin, Jean-Pierre and Spezia, Riccardo
The Journal of Chemical Physics 137(16), 164501, AIP, 2012

Electronic structure and bonding of lanthanoid (III) carbonates
Jeanvoine, Yannick and Miro, Pere and Martelli, Fausto and Cramer, Christopher J and Spezia, Riccardo
Physical Chemistry Chemical Physics 14(43), 14822--14831, Royal Society of Chemistry, 2012

Lanthanoids (III) and actinoids (III) in water: Diffusion coefficients and hydration enthalpies from polarizable molecular dynamics simulations
Martelli, Fausto and Abadie, Sacha and Simonin, Jean-Pierre and Vuilleumier, Rodolphe and Spezia, Riccardo
Pure and applied chemistry 85(1), 237--246, De Gruyter, 2012


Polarizable interaction potential for molecular dynamics simulations of actinoids (III) in liquid water
Duvail, Magali and Martelli, Fausto and Vitorge, Pierre and Spezia, Riccardo
The Journal of chemical physics 135(4), 044503, AIP, 2011


Effective spectral densities for system-environment dynamics at conical intersections: S2--S1 conical intersection in pyrazine
Martinazzo, Rocco and Hughes, Keith H and Martelli, Fausto and Burghardt, Irene
Chemical Physics 377(1-3), 21--29, Elsevier, 2010