Testing the chirality of digital imaging operations.

Program to compute chirality indices and assess molecular symmetry

Computer code, notes and supporting data for "Photoinduced flipping of optical chirality during backward-wave parametric amplification in a chiral nonlinear medium", Phys. Rev. A (2025)

Molecular rotations and vibrations in fields

PyDescriptorC* is a python-based molecular descriptor calculator.

Notes on the theoretical framework for optical parametric interaction between pulses propagating in chiral media. Supporting material for Fredrik Jonsson, Christos Flytzanis and Govind P. Agrawal, "Pulsed optical parametric amplification in chiral media", J. Opt. Soc. Am. B 42, 1335-1341 (2025).

Quantification of helical morphologies

Continuous symmetry measures (CSM) of the electronic density from Gaussian cube file

Quantum-mechanical calculations of photo-electron circular dichroism

Nuclear spin-symmetry breaking in rotational cluster states of a triatomic molecule