Edward Ditler

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

Aliaksandr V. Yakutovich, Kristjan Eimre, Ole Schütt et al. · Computational Materials Science · 2020 · 92 citations · Full text

Computing, Computer Science, Automation +12

Vibrational spectroscopy by means of first‐principles molecular dynamics simulations

Edward Ditler, Sandra Luber · Wiley Interdisciplinary Reviews Computational Molecular Science · 2022 · 77 citations · Full text

Natural Sciences, Chemistry, Physics +17

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

Qiang Sun, Oliver Gröning, Jan Overbeck et al. · Advanced Materials · 2020 · 59 citations · Full text

Natural Sciences, Materials Science, Physics +17

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

Edward Ditler, Tomáš Zimmermann, Chandan Kumar et al. · Journal of Chemical Theory and Computation · 2022 · 21 citations

Natural Sciences, Chemistry, Physics +16

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

Edward Ditler, Chandan Kumar, Sandra Luber · The Journal of Chemical Physics · 2021 · 12 citations

Natural Sciences, Chemistry, Physics +17