Nikos L. Doltsinis

Azobenzene-Metal Junction as a Mechanically and Opto-Mechanically Driven Switch

Martin Konôpka, Robert Turanský, Nikos L. Doltsinis, 2008, High Performance Computing in Science and Engineering.

Molecular Dynamics Simulation: From “Ab Initio” to “Coarse Grained”

Nikos L. Doltsinis, Chris Lorenz, C. Lorenz, 2011 .

Computer simulation of light-driven materials: A multiscale approach

Nikos L. Doltsinis, 2011 .

FIRST PRINCIPLES MOLECULAR DYNAMICS INVOLVING EXCITED STATES AND NONADIABATIC TRANSITIONS

Nikos L. Doltsinis, Dominik Marx, N. Doltsinis, 2002 .

Quantum Simulations of complex many-body systems:from theory to algorithms

Nikos L. Doltsinis, N. Doltsinis, 2002 .

New generalized gradient approximation functionals

Michiel Sprik, A. Daniel Boese, Nicholas C. Handy, 2000 .

Excited state tautomerism of the DNA base guanine: A restricted open-shell Kohn–Sham study

Nikos L. Doltsinis, N. Doltsinis, Holger Langer, 2003 .

An Arylazopyrazole Based N-Heterocyclic Carbene as Photoswitch on Gold Surfaces: Light-Switchable Wettability, Work Function and Conductance.

Heinrich F. Arlinghaus, Bonnie J. Tyler, Nikos L. Doltsinis, 2020, Angewandte Chemie.