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.

Berechnung der Konstante von Madelung

Die gesamte Coulomb-Potentialenergie eines Kristalls ist die Summe der einzelnen Terme der elektrostatischen Potentialenergie zum Laden von Ionen   e und  getrennt nach Entfernung . Die Summe erstreckt sich auf alle im Festkörper vorhandenen Ionenpaare für alle kristallinen Strukturen. Die … Continue reading

Posted in Science Topics | Leave a comment

La Serie​ di Taylor

La serie di Taylor è un utilissimo strumento matematico ma a volte difficile da comprendere per gli studenti. In questo blog, ne darò una breve descrizione dando qualche esempio di applicazione. Chi è il signor Taylor? Brook Taylor (1685 – … Continue reading

Posted in Uncategorized | Leave a comment

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

Posted in Uncategorized | 1 Comment

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.  

Posted in Programming, Science Topics | Leave a comment

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)   

Posted in Uncategorized | Leave a comment

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.

Posted in Science Topics | Leave a comment

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.

Posted in Leonardo's Corner, Programming | Leave a comment