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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Dive into the research topics where Nikos Doltsinis is active. These topic labels come from the works of this person. Together they form a unique fingerprint.
- 1 Similar Profiles
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Conformation and dynamics of a cyclic disulfide-bridged peptide: Effects of temperature and solvent
Li, F., Bravo-Rodriguez, K., Phillips, C., Seidel, R. W., Wieberneit, F., Stoll, R., Doltsinis, N. L., Sanchez-Garcia, E. & Sander, W., 4 Apr 2013, In: Journal of Physical Chemistry B. 117, 13, p. 3560-3570 11 p.Research output: Contribution to journal › Article › peer-review
14 Citations (Scopus) -
Kinetically controlled formation of formamide trimer from first principles
Szyja, B. M., Antoniou, A. & Doltsinis, N. L., 18 Mar 2013, In: ChemPhysChem. 14, 4, p. 812-816 5 p.Research output: Contribution to journal › Article › peer-review
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Prediction of Absolute Hydroxyl pKa Values for 3-Hydroxypyridin-4-ones
Chen, Y.-L., Doltsinis, N. L., Hider, R. C. & Barlow, D., 18 Oct 2012, In: Journal of physical chemistry letters. 3, 20, p. 2980-2985 6 p.Research output: Contribution to journal › Article › peer-review
18 Citations (Scopus) -
Computer simulation of light-driven materials: A multiscale approach
Doltsinis, N. L., 2011, In: ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 242Research output: Contribution to journal › Meeting abstract
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Elucidating the Origin of Diastereoselectivity in a Self-Replicating System: Selfishness versus Altruism
Dieckmann, A., Beniken, S., Lorenz, C. D., Doltsinis, N. L. & von Kiedrowski, G., 10 Jan 2011, In: CHEMISTRY. 17, 2, p. 468 - 480 13 p.Research output: Contribution to journal › Article › peer-review
24 Citations (Scopus)
Projects
- 6 Finished
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Unravelling molecular self-replication: a multiscale simulation approach based on first principles
Doltsinis, N. (Primary Investigator) & Lorenz, C. (Co-Investigator)
1/09/2011 → 28/02/2015
Project: Research
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How do salts dissolve? Mechanistic insights from spectroscopy and simulation
Doltsinis, N. (Primary Investigator)
1/10/2010 → 30/09/2014
Project: Research
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Multiscale materials modelling: from the quantum to the macroscopic level
Doltsinis, N. (Primary Investigator)
1/09/2010 → 31/08/2015
Project: Research
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Ab initio moledcular dynamics sumulations of hydrogen-bonded systems: from aggregation kinetics to thermal rearrangement
Doltsinis, N. (Primary Investigator)
1/05/2009 → 30/04/2012
Project: Research
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Materials modelling across the scales - Doctoral Training Centre
Mainwood, A. (Primary Investigator), Doltsinis, N. (Co-Investigator), Fraternali, F. (Co-Investigator), Miodownik, M. (Co-Investigator), Richards, D. (Co-Investigator) & Sollich, P. (Co-Investigator)
1/04/2009 → 30/09/2017
Project: Research
Activities
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1) Young Lecturers Symposium, Ruhr-Universitaet Bochum,
Doltsinis, N. (Organiser)
Jun 2007 → …Activity: Participating in or organising an event › Participation in conference
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2) CECAM workshop “Ab initio simulations in photochemistry: bringing together nonadiabatic dynamics and electronic structure theory”, , Lyon, France
Doltsinis, N. (Organiser)
May 2007 → …Activity: Participating in or organising an event › Participation in conference
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ANGEWANDTE CHEMIE (Journal)
Doltsinis, N. (Editor)
2001 → …Activity: Publication peer-review and editorial work › Publication peer-review
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Journal of Chemical Theory and Computation (Journal)
Doltsinis, N. (Editor)
2001 → …Activity: Publication peer-review and editorial work › Publication peer-review
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Austrian Academy of Science
Doltsinis, N. (Member)
2001 → …Activity: Other › Types of External academic engagement - Membership of peer review panel or committee