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List of works by Davide Ceresoli

A converse approach to the calculation of NMR shielding tensors

scientific article published in 2009

A polynomial Ansatz for norm-conserving pseudopotentials

scientific article published on 29 May 2018

Ab Initio Many-Body Perturbation Theory Calculations of the Electronic and Optical Properties of Cyclometalated Ir(III) Complexes

scientific article published on 06 January 2020

Ab initioconverse NMR approach for pseudopotentials

scientific article published on 20 May 2010

Advanced capabilities for materials modelling with Quantum ESPRESSO.

scientific article

Avoiding fractional electrons in subsystem DFT based ab-initio molecular dynamics yields accurate models for liquid water and solvated OH radical

scientific article published on 01 June 2016

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

article by Roberta Pigliapochi et al published 8 February 2017 in Physical Review B

First principles NMR study of fluorapatite under pressure

scientific article published on 23 June 2012

First-principles investigation of hyperfine interactions for nuclear spin entanglement in photoexcited fullerenes

scholarly article in Physical Review B, vol. 85 no. 11, March 2012

Investigation of the high pressure phase BiS2: Temperature-resolved structure and compression behavior to 60 GPa

Local Structure and Magnetism of Fe2O3 Maghemite Nanocrystals: The Role of Crystal Dimension

scientific article published on 30 April 2020

Magnetic Moments and Electron Transport through Chromium-Based Antiferromagnetic Nanojunctions

scientific article published on 18 October 2018

NCImilano: an electron-density-based code for the study of noncovalent interactions

NMR shifts for polycyclic aromatic hydrocarbons from first-principles

scientific article published on 15 November 2009

Near-IR Emitting Iridium(III) Complexes with Heteroaromatic β-Diketonate Ancillary Ligands for Efficient Solution-Processed OLEDs: Structure-Property Correlations

scientific article published on 25 January 2016

Orbital magnetization in extended systems

scientific article published on 01 September 2005

Peak effect versus skating in high-temperature nanofriction

scientific article published on 11 February 2007

Periodic subsystem density-functional theory ⬇️

scientific article published on 01 November 2014

Phase stability of theSrMnO3hexagonal perovskite system at high pressure and temperature

scientific article

Physics of solid and liquid alkali halide surfaces near the melting point

scientific article published in October 2005

Playing quantum hide-and-seek with the muon: localizing muon stopping sites

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

2009 scientific article

Quantum states of muons in fluorides

scholarly article in Physical Review B, vol. 87 no. 12, March 2013

Source function and plane waves: Toward complete bader analysis.

scientific article published in July 2016

Spin diffusion in the low-dimensional molecular quantum Heisenberg antiferromagnetCu(pyz)(NO3)2detected with implanted muons ⬇️

scholarly article in Physical Review B, vol. 91 no. 14, April 2015

Subsystem real-time time dependent density functional theory ⬇️

scientific article published in April 2015

Thermoelastic properties ofα-iron from first-principles

scientific article published on 5 March 2015

Trapping of excitons at chemical defects in polyethylene

scientific article published on 01 October 2004

Upper limit to the ultimate achievable emission wavelength in near-IR emitting cyclometalated iridium complexes.

scientific article published on 5 July 2017

Vibrational and thermoelastic properties of bcc iron from selected EAM potentials

scientific article published in September 2018

Why are alkali halide surfaces not wetted by their own melt?

scientific article published on 05 May 2005

β-Diketonate ancillary ligands in heteroleptic iridium complexes: a balance between synthetic advantages and photophysical troubles

scientific article published on 01 September 2018

π-π-Induced aggregation and single-crystal fluorescence anisotropy of 5,6,10b-tri-aza-acephenanthrylene.

scientific article

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