Author Archives: Danilo Roccatano

About Danilo Roccatano

I have a Doctorate in chemistry at the University of Roma “La Sapienza”. I led educational and research activities at different universities in Italy, The Netherlands, Germany and now in the UK. I am fascinated by the study of nature with theoretical models and computational. For years, my scientific research is focused on the study of molecular systems of biological interest using the technique of Molecular Dynamics simulation. I have developed a server (the link is in one of my post) for statistical analysis at the amino acid level of the effect of random mutations induced by random mutagenesis methods. I am also very active in the didactic activity in physical chemistry, computational chemistry, and molecular modeling. I have several other interests and hobbies as video/photography, robotics, computer vision, electronics, programming, microscopy, entomology, recreational mathematics and computational linguistics.

The Taylor Series

The Taylor series is a mathematical tool that, sometimes, it is not easy to immediately grasp by freshman students. In this blog, I will give a short review of it giving some examples of applications. Who is Mr. Taylor? Brook … Continue reading

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Modeling Natural Shapes: Sunflowers Florets and the Golden Ratio

Il girasole piega a occidente e già precipita il giorno nel suo occhio in rovina …  from the poem  “Quasi un madrigale” by Salvatore Quasimodo.  

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Modeling Natural Shapes: Seashells

O conchiglia marina, figlia della pietra e del mare biancheggiante, tu meravigli la mente dei fanciulli. La conchiglia di Alceo. (Traduzione di Salvatore Quasimodo, da Lirici greci, 1940)   

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Physical Chemistry: The Simple Hückel Method

The Hückel molecular orbital method is a quantum mechanics approach for calculating the energies of molecular orbitals of π electrons in conjugated hydrocarbon systems, such as ethylene, benzene, and butadiene.

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Retro Programming II: the Amiga and the computational beauty of the leaf

In my archeological exploration of old computer files, I came across to another simple but interesting Amiga Basic program that I programmed in 1989. It is named “Foglie”, the Italian name for leaves.

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Awk Programming III: the One-Dimensional Cellular Automaton

Cellular automata (CA) is a vast and interesting topic of computer science and mathematics with important applications in many areas of science.

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Modular Assembly of Proteins on Nanoparticles

I have recently contributed to a proof of concept study published in the prestigious  Nature Communication (doi:10.1038/s41467-018-03931-4) [1]. The study involved collaborations with experimental groups across University of Lincoln (UoL), University of Molise (Italy) and the Royal Holloway University of … Continue reading

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