4 citations · 5 across the 4 of their papers we have counts for
5 papers
Flexible and Efficient Semi-Empirical DFTB Parameters for Electronic Structure Prediction of 3D, 2D Iodide Perovskites and Heterostructures
Junke Jiang, Tammo van der Heide, Simon Thébaud +11
Density Functional Tight-Binding (DFTB), an approximative approach derived from Density Functional Theory (DFT), has the potential to pave the way for simulations of large periodic…
The 2025 Roadmap to Ultrafast Dynamics: Frontiers of Theoretical and Computational Modelling
Fabio Caruso, Michael A. Sentef, Claudio Attaccalite +27
The exploration of ultrafast phenomena is a frontier of condensed matter research, where the interplay of theory, computation, and experiment is unveiling new opportunities for und…
Trajectory Surface Hopping with Tight Binding Density Functional Theory applied to Molecular Motors
Gonzalo Díaz Mirón, Carlos R. Lien-Medrano, Debarshi Banerjee +5
Non-adiabatic molecular dynamics (NAMD) has become an essential computational technique for studying the photophysical relaxation of molecular systems after light absorption. These…
Surface-mediated ultra-strong cavity coupling of two-dimensional itinerant electrons
Christian J. Eckhardt, Andrey Grankin, Dante M. Kennes +5
Engineering phases of matter in cavities requires effective light-matter coupling strengths that are on the same order of magnitude as the bare system energetics, coined the ultra-…
Nonperturbative Nonlinear Transport in a Floquet-Weyl Semimetal
Matthew W. Day, Kateryna Kusyak, Felix Sturm +23
Periodic laser driving, known as Floquet engineering, is a powerful tool to manipulate the properties of quantum materials. Using circularly polarized light, artificial magnetic fi…