University of Groningen
Organic Materials in Silico
Sami, Selim
DOI:
10.33612/diss.146910127
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Publication date: 2020
Link to publication in University of Groningen/UMCG research database
Citation for published version (APA):
Sami, S. (2020). Organic Materials in Silico: From force field development to predicting dielectric properties. University of Groningen. https://doi.org/10.33612/diss.146910127
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Propositions
accompanying the dissertation
Organic Materials in Silico
From Force Field Development to Predicting Dielectric Properties
by
Selim Sami
1. With computational methods based on quantum chemistry and molecular dynamics, dielectric constants of organic semiconductors can be obtained with accuracies comparable to experimental methods. (Chapter 2, 4, 5 of this thesis) 2. The dielectric constant is anything but a constant; one should determine the
relevant time scales for the desired application before attempting to maximize it. (Chapter 2, 4, 5 of this thesis)
3. The Q-Force methodology can be used to derive accurate molecular force fields for a wide range of applications in materials science and biophysics. (Chapter 3 of this thesis)
4. The synergistic use of X-ray spectroscopy and molecular dynamics simulations is a powerful approach to resolve the structure of organic films. (Chapter 6 of this thesis)
5. A higher level of theory at the cost of statistics is not advisable.
6. The ever-increasing competition for funding has an overall negative impact on scientific integrity.
7. In science, the burden of proof lies with the one making the hypothesis. Importantly, a hypothesis remains a hypothesis, no matter how many times it is repeated.
8. Politics is governed by public opinion and not by scientific arguments. Consequently, public outreach, no matter its scale, is the primary weapon for tackling urgent issues such as climate change.
9. The introduction of a thesis should not aim to prove one's textbook knowledge but to welcome an audience as broad as possible.
