Marcus Elstner

According to our database, Marcus Elstner authored at least 6 papers between 2003 and 2021.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of five.

2021

Geometry dependence of excitonic couplings and the consequences for configuration-space sampling.

Nils Schieschke, Beatrix M. Bold, Philipp M. Dohmen, Daniel Wehl, Marvin Hoffmann, Andreas Dreuw, Marcus Elstner, Sebastian Höfener

J. Comput. Chem., 2021

2019

Exploring the applicability of density functional tight binding to transition metal ions. Parameterization for nickel with the spin-polarized DFTB3 model.

Milena Vujovic, Mioy Huynh, Sebastian Steiner, Pablo García-Fernández, Marcus Elstner, Qiang Cui, Maja Gruden

J. Comput. Chem., 2019

2017

Benchmarking density functional tight binding models for barrier heights and reaction energetics of organic molecules.

Maja Gruden, Ljubica Andjeklovic, Akkarapattiakal Kuriappan Jissy, Stepan Stepanovic, Matija Zlatar, Qiang Cui, Marcus Elstner

J. Comput. Chem., 2017

2013

Rotamer decomposition and protein dynamics: Efficiently analyzing dihedral populations from molecular dynamics.

Hiroshi C. Watanabe, Marcus Elstner, Thomas Steinbrecher

J. Comput. Chem., 2013

2006

Computational photochemistry of retinal proteins.

Marius Wanko, Michael Hoffmann, Thomas Frauenheim, Marcus Elstner

J. Comput. Aided Mol. Des., 2006

2003

Modeling zinc in biomolecules with the self consistent charge-density functional tight binding (SCC-DFTB) method: Applications to structural and energetic analysis.

Marcus Elstner, Qiang Cui, Petra Munih, Efthimios Kaxiras, Thomas Frauenheim, Martin Karplus

J. Comput. Chem., 2003