Davide Ceresoli

DFT investigation of the effect of spin-orbit coupling on the NMR shifts in paramagnetic solids

Martin Kaupp, Clare P. Grey, Andrew J. Pell, 2017 .

An Open Source Embedding Code for the Condensed Phase

Oliviero Andreussi, Davide Ceresoli, Alessandro Genova, 2016 .

An integrated framework for multi-scale multi-physics numerical modelling of interface evolution in welding

Chris R. Kleijn, Jun Liu, Ruslan L. Davidchack, 2012 .

Source function and plane waves: Toward complete bader analysis

Christian Tantardini, Enrico Benassi, Davide Ceresoli, 2016, J. Comput. Chem..

Enhancement of DFT-calculations at petascale: Nuclear Magnetic Resonance, Hybrid Density Functional Theory and Car-Parrinello calculations

Carlo Cavazzoni, Layla Martin-Samos, Nicola Varini, 2013, Comput. Phys. Commun..

Chapter 5:Chemical Bonding Investigations for Materials

Giovanni Macetti, Gabriele Saleh, Davide Ceresoli, 2018 .

QE: Quantum opEn-Source Package for Research in Electronic Structure, Simulation, and Optimization

Carlo Cavazzoni, Paolo Giannozzi, Guido Fratesi, 2018 .

Accurate tight-binding Hamiltonians for two-dimensional and layered materials

Marco Buongiorno Nardelli, Stefano Curtarolo, Marco Fornari, 2016, 1601.02657.

Dehydroxylation and Silanization of the Surfaces of β-Cristobalite Silica: An ab Initio Simulation

Michele Parrinello, Davide Ceresoli, Davide Donadio, 2001 .

Thermoelastic properties of alpha-iron from first-principles

Daniele Dragoni, Switzerland, Milano, 2015, 1502.01534.

Advanced capabilities for materials modelling with Quantum ESPRESSO.

Carlo Cavazzoni, Guido Fratesi, Stefano de Gironcoli, 2017, Journal of physics. Condensed matter : an Institute of Physics journal.