Research output per year
Research output per year
Personal profile
Research interests
Ab initio molecular dynamics simulations of condensed phases with applications ranging from Biology via Geochemistry to Materials Science. Particular focus points are the simulation of light-induced processes and the calculation of free energy landscapes for rare events.
Research interests (short)
Ab initio molecular dynamics simulations; applications in Biology, Geochemistry, Materials Science.
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Research output
- 2 Article
-
Explaining Asymmetric Solvation of Pt(II) versus Pd(II) in Aqueous Solution Revealed by Ab Initio Molecular Dynamics Simulations
Beret, E. C., Martinez, J. M., Pappalardo, R. R., Sanchez-Marcos, E., Doltsinis, N. L. & Marx, D., 9 Dec 2008, In: Journal of Chemical Theory and Computation. 4, 12, p. 2108 - 2121 14 p.Research output: Contribution to journal › Article › peer-review
55 Citations (Scopus) -
Nonadiabatic Car-Parrinello molecular dynamics
Doltsinis, N. L. & Marx, D., 22 Apr 2002, In: Physical Review Letters. 88, 16, p. 1664021-1664024 4 p., 166402.Research output: Contribution to journal › Article › peer-review
196 Citations (Scopus)