Reactive Martini: Chemical Reactions in Coarse-Grained Molecular Dynamics Simulations

por Sami, Selim, Marrink, Siewert J.
Publicado 2023

How Ethylene Glycol Chains Enhance the Dielectric Constant of Organic Semiconductors: Molecular Origin and Frequency Dependence

por Sami, Selim, Alessandri, Riccardo, Broer, Ria, Havenith, Remco W. A.
Publicado 2020

Can the Dielectric Constant of Fullerene Derivatives Be Enhanced by Side-Chain Manipulation? A Predictive First-Principles Computational Study

por Sami, Selim, Haase, Pi A.B., Alessandri, Riccardo, Broer, Ria, Havenith, Remco W.A.
Publicado 2018

Q-Force: Quantum Mechanically Augmented Molecular Force Fields

por Sami, Selim, Menger, Maximilian F.S.J, Faraji, Shirin, Broer, Ria, Havenith, Remco W. A.
Publicado 2021

Biobased Chemicals: 1,2,4-Benzenetriol, Selective Deuteration and Dimerization to Bifunctional Aromatic Compounds

por Randolph, Caelan, Lahive, Ciaran W., Sami, Selim, Havenith, Remco W. A., Heeres, Hero J., Deuss, Peter J.
Publicado 2018

Modelling structural properties of cyanine dye nanotubes at coarse-grained level

por Patmanidis, Ilias, Souza, Paulo C. T., Sami, Selim, Havenith, Remco W. A., de Vries, Alex H., Marrink, Siewert J.
Publicado 2022

Strategies for Enhancing the Dielectric Constant of Organic Materials

por Sami, Selim, Alessandri, Riccardo, W. Wijaya, Jeff B., Grünewald, Fabian, de Vries, Alex H., Marrink, Siewert J., Broer, Ria, Havenith, Remco W. A.
Publicado 2022

Fullerene derivatives with oligoethylene–glycol side chains: an investigation on the origin of their outstanding transport properties

por Dong, Jingjin, Sami, Selim, Balazs, Daniel M., Alessandri, Riccardo, Jahani, Fatimeh, Qiu, Li, Marrink, Siewert J., Havenith, Remco W. A., Hummelen, Jan C., Loi, Maria A., Portale, Giuseppe
Publicado 2021

N-type organic thermoelectrics: demonstration of ZT > 0.3

por Liu, Jian, van der Zee, Bas, Alessandri, Riccardo, Sami, Selim, Dong, Jingjin, Nugraha, Mohamad I., Barker, Alex J., Rousseva, Sylvia, Qiu, Li, Qiu, Xinkai, Klasen, Nathalie, Chiechi, Ryan C., Baran, Derya, Caironi, Mario, Anthopoulos, Thomas D., Portale, Giuseppe, Havenith, Remco W. A., Marrink, Siewert J., Hummelen, Jan C., Koster, L. Jan Anton
Publicado 2020