List of works - Thierry Deutsch

A fourfold coordinated point defect in silicon

scientific article published on 20 May 2002

ABINIT: First-principles approach to material and nanosystem properties

article by Xavier Gonze et al published December 2009 in Computer Physics Communications

Accurate complex scaling of three dimensional numerical potentials.

scientific article

Assessment of noncollinear spin-flip Tamm-Dancoff approximation time-dependent density-functional theory for the photochemical ring-opening of oxirane.

scientific article published on 27 August 2010

Daubechies wavelets as a basis set for density functional pseudopotential calculations

scientific article published in July 2008

Density functional theory calculation on many-cores hybrid central processing unit-graphic processing unit architectures

scientific article published on 01 July 2009

Efficient and accurate three-dimensional Poisson solver for surface problems

scientific article published on 01 August 2007

Efficient solution of Poisson's equation with free boundary conditions.

scientific article published in August 2006

First principles prediction of the metastability of the Ge2Mn phase and its synthesis pathways

First-principles prediction of stable SiC cage structures and their synthesis pathways

scholarly article in Physical Review B, vol. 82 no. 3, July 2010

Fragment approach to constrained density functional theory calculations using Daubechies wavelets ⬇️

scientific article published on 01 June 2015

Germanium diffusion mechanisms in silicon from first principles

scholarly article by Damien Caliste et al published 8 March 2007 in Physical Review B

Low-energy boron fullerenes: Role of disorder and potential synthesis pathways

scholarly article in Physical Review B, vol. 83 no. 8, February 2011

Metallofullerenes as fuel cell electrocatalysts: a theoretical investigation of adsorbates on C59Pt

scientific article published on 08 July 2010

Multipole-preserving quadratures for the discretization of functions in real-space electronic structure calculations ⬇️

scientific article published on 01 December 2015

Optimized energy landscape exploration using the ab initio based activation-relaxation technique

scientific article published in July 2011

Organizing Software Growth and Distributed Development: The Case of Abinit

article

Phase diagram, structure, and magnetic properties of the Ge-Mn system: A first-principles study

scholarly article in Physical Review B, vol. 83 no. 17, May 2011

Reproducibility in density functional theory calculations of solids