Photoelectron properties of DNA and RNA bases from many-body perturbation theory

by Qian, Xiaofeng, Umari, Paolo, Marzari, Nicola
Published 2011

First-principles investigation of organic photovoltaic materials C[subscript 60], C[subscript 70], [C[subscript 60]]PCBM, and bis-[C[subscript 60]]PCBM using a many-body G[subscrip...

by Qian, Xiaofeng, Umari, Paolo, Marzari, Nicola
Published 2015

Electronic, vibrational, and transport properties of pnictogen-substituted ternary skutterudites

by Volja, Dmitri, Kozinsky, Boris, Li, An, Wee, Daehyun, Marzari, Nicola, Fornari, Marco
Published 2012

Dominant phonon wave vectors and strain-induced splitting of the 2D Raman mode of graphene

by Narula, Rohit, Bonini, Nicola, Marzari, Nicola, Reich, Stephanie
Published 2012

Ab initio converse NMR approach for pseudopotentials

by Ceresoli, Davide, Marzari, Nicola, Lopez, M. G., Thonhauser, T.
Published 2010

Dynamics and Thermodynamics of a Novel Phase of NaAlH[subscript 4]

by Wood, Brandon C., Marzari, Nicola
Published 2010

Spatially Extended Kondo State in Magnetic Molecules Induced by Interfacial Charge Transfer

by Perera, U. G. E., Kulik, Heather Janine, Iancu, V., Dias da Silva, L. G. G. V., Ulloa, S. E., Marzari, Nicola, Hla, S. W.
Published 2011

Effects of filling in CoSb[subscript 3]: Local structure, band gap, and phonons from first principles

by Kozinsky, Boris, Wee, Daehyun, Fornari, Marco, Marzari, Nicola
Published 2010

Uniaxial strain in graphene by Raman spectroscopy: G peak splitting, Grüneisen parameters, and sample orientation

by Mohiuddin, T. M. G., Lombardo, A., Nair, R. R., Bonetti, A., Savini, G., Jalil, R., Bonini, Nicola, Basko, D. M., Galiotis, C., Marzari, Nicola, Novoselov, Kostya S., Geim, A. K., Ferrari, A. C.
Published 2010

First-Principles Prediction of the Equilibrium Shape of Nanoparticles Under Realistic Electrochemical Conditions

by Bonnet, Nicephore, Marzari, Nicola
Published 2013

Role of Disorder and Anharmonicity in the Thermal Conductivity of Silicon-Germanium Alloys: A First-Principles Study

by Garg, Jivtesh, Bonini, Nicola, Marzari, Nicola, Kozinsky, Boris 1978-
Published 2011

Koopmans' condition for density-functional theory

by Dabo, Ismaila, Ferretti, Andrea, Poilvert, Nicolas, Li, Yanli, Marzari, Nicola
Published 2011

Berry phase and pseudospin winding number in bilayer graphene

by Marzari, Nicola, Park, Cheol Hwan
Published 2012