Nathaniel Raimbault

Using Gaussian process regression to simulate the vibrational Raman spectra of molecular crystals

Andrea Grisafi, Michele Ceriotti, Mariana Rossi, 2019, New Journal of Physics.

Gauge-Invariant Formulation of Circular Dichroism.

J. Berger, Nathaniel Raimbault, P. L. de Boeij, 2016, Journal of chemical theory and computation.

All-electron, real-space perturbation theory for homogeneous electric fields: theory, implementation, and application within DFT

Mariana Rossi, Matthias Scheffler, Patrick Rinke, 2018, New Journal of Physics.

Anharmonic effects in the low-frequency vibrational modes of aspirin and paracetamol crystals

Nathaniel Raimbault, M. Rossi, V. Athavale, 2019, Physical Review Materials.

Gauge-Invariant Formulation of Circular Dichroism.

J. Berger, Nathaniel Raimbault, P. Romaniello, 2016, Journal of chemical theory and computation.

Hands-on DFT and Beyond:; Frontiers of Advanced Electronic Structure and Molecular Dynamics Methods; Tutorial: Phonons, Lattice Expansion, and Band-gap Renormalization

Nathaniel Raimbault, M. Rossi, Y. Litman, 2018 .

Supplemental Information: Using Gaussian Process Regression to Simulate the Vibrational Raman Spectra of Molecular Crystals

M. Ceriotti, Nathaniel Raimbault, Andrea Grisafi, 2019 .