Jacques Kontak Desmarais

8PUBLICATIONS
14CO-AUTHORS
Numerical solution of differential and integral equationsFormal methods for softwareCondensed matter modelling and density functional theoryMathematical aspects of general relativityComputational chemistry
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Publications (8)

|Aug 15, 2025
Spherical to Cartesian coordinates transformation for solid harmonics revisited: Construction of the Hartree potential.

Chiara Ribaldone, Jacques Kontak Desmarais

|Feb 25, 2025
Accelerated linear algebra for large scale DFT calculations of materials on CPU/GPU architectures with CRYSTAL.

Giacomo Ambrogio, Lorenzo Donà, Jacques K Desmarais

|Jul 15, 2024
Unveiling the Role of Spin Currents on the Giant Rashba Splitting in Single-Layer WSe2.

Alberto Boccuni, Bárbara Maria Teixeira Costa Peluzo, Filippo Bodo

|Apr 24, 2023
Efficient calculation of derivatives of integrals in a basis of non-separable Gaussians.

Jacques K Desmarais, Alessandro De Frenza, Alessandro Erba

|Mar 14, 2023
Perturbation Theory Treatment of Spin-Orbit Coupling. III: Coupled Perturbed Method for Solids.

Jacques K Desmarais, Alberto Boccuni, Jean-Pierre Flament

|Dec 11, 2022
CRYSTAL23: A Program for Computational Solid State Physics and Chemistry.

Alessandro Erba, Jacques K Desmarais, Silvia Casassa

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Frequent Collaborators

7 joint publications

Alessandro Erba

3 joint publications

Chiara Ribaldone

2 joint publications

Silvia Casassa

2 joint publications

Bartolomeo Civalleri