Dr Daniel Hollas
PhD
Current positions
Senior Research Associate
School of Chemistry
Contact
Press and media
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Publications
Recent publications
01/05/2026Accelerating discovery across scientific disciplines through reproducible workflows with AiiDAlab
Digital Discovery
Best practices for nonadiabatic molecular dynamics simulations [Article v1.0]
Living Journal of Computational Molecular Science
Making atomistic materials calculations accessible with the AiiDAlab Quantum ESPRESSO app
npj Computational Materials
Perspective on a challenge
The Journal of Chemical Physics
Benchmarking Electronic-Structure Methods for the Description of Dark Transitions in Carbonyls at and Beyond the Franck–Condon Point
Journal of Physical Chemistry A
