Edward Ditler

Implementation of Nuclear Velocity Perturbation and Magnetic Field Perturbation Theory in CP2K and Their Application to Vibrational Circular Dichroism.

S. Luber, T. Zimmermann, Chandan Kumar, 2022, Journal of chemical theory and computation.

Vibrational spectroscopy by means of first‐principles molecular dynamics simulations

S. Luber, Edward Ditler, 2022, WIREs Computational Molecular Science.

AiiDAlab – an ecosystem for developing, executing, and sharing scientific workflows

Aliaksandr V. Yakutovich, B. Smit, G. Pizzi, 2020, Computational Materials Science.

Massive Dirac Fermion Behavior in a Low Bandgap Graphene Nanoribbon Near a Topological Phase Boundary

Colin Daniels, Qiang Sun, C. Pignedoli, 2020, Advanced materials.

Analytic calculation and analysis of atomic polar tensors for molecules and materials using the Gaussian and plane waves approach.

S. Luber, Chandan Kumar, Edward Ditler, 2021, The Journal of chemical physics.

Vibrational circular dichroism spectra of natural products by means of the nuclear velocity perturbation theory.

S. Luber, Edward Ditler, C. Kumar, 2023, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

The position operator problem in periodic calculations with an emphasis on theoretical spectroscopy.

S. Luber, Johann Mattiat, Edward Ditler, 2023, Physical chemistry chemical physics : PCCP.