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

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Frosinone and the Ciociaria

I am European of Italian origin. I very proud of my origin but, unfortunately, my carrier put me in a orbit that does intersect my country only during the vacation time. In these close encounters, my landing site is Frosinone. … Continue reading

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Calculus in a Nutshell: functions and derivatives

When I was about thirteen, the library was going to get ‘Calculus for the Practical Man.’ By this time I knew, from reading the encyclopedia, that calculus was an important and interesting subject, and I ought to learn it.   … Continue reading

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The Fourier Series

Pure mathematics is much more than an armory of tools and techniques for the applied mathematician. On the other hand, the pure mathematician has ever been grateful to applied mathematics for stimulus and inspiration. From the vibrations of the violin … Continue reading

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Note di Meccanica Classica

In questo blog vengono derivate alcune equazioni fondamentali della meccanica classica che sono anche alla base del metodo della simulazione di Dinamica Molecolare.

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La Serie​ di Taylor

La serie di Taylor è un utilissimo strumento matematico. In questo blog, ne darò una breve descrizione dando qualche esempio di applicazione. Chi è il signor Taylor? Brook Taylor (1685 – 1731) era un matematico britannico del XVII secolo che … Continue reading

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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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