Quantum Chemistry Regression

Relevant Papers

  • Solid Harmonic Wavelet Scattering. With Michael Eickenberg, Georgios Exarchakis and Stéphane Mallat. 31st Conference on Neural Information Processing Systems (NIPS 2017), to appear, 2017. pdf.
  • Wavelet Scattering Regression of Quantum Chemical Energies. With Stéphane Mallat and Nicolas Poilvert. Multiscale Modeling and Simulation, volume 15, issue 2, 827-863, 2017. pdfarXiv, MMSSoftware.
  • Quantum Energy Regression using Scattering Transforms. With Nicolas Poilvert and Stéphane Mallat. 2015. pdfarXiv.