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.

A personal tribute to the founder of MD simulation of biological molecules: Prof Herman J.C. Berendsen (1934-2019)

On the 7 October 2019, Prof Dr Herman Johan Christiaan Berendsen passed away just shortly after his 85 birthday. Prof Berendsen is considered the founder of the molecular dynamics simulation of biological system: the area of theoretical research that also … Continue reading

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The First 150 Years of the Periodic Table of the Elements

That the nobility of man, acquired in a hundred centuries of trial and error, lay in making himself the conquerer of matter, and that I had enrolled in chemistry because I wanted to remain faithful to this nobility. That conquering matter is … Continue reading

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Retro programming nostalgia III: the MSX Microcomputer and the Orbit of the Planets in the Solar System

In a recent article, I have explained the Euler’s method for solving ordinary differential equations using as a motivation the fictionalized version in the film Hidden Figures of the scientific contribution of Katherine Goble and her two colleagues to the NASA … Continue reading

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L’Integrazione Numerica di Equazioni Differenziali: 50 anni fa l’ uomo ha messo piede sulla Luna

Nel giorno in cui ho iniziato a scrivere questo articolo ricorreva l’anniversario della prima esplorazione da parte dei cosmonauti americani Neil Armstrong, Michael Collins, Buzz Aldrin della nostra Luna. Anche se non ho una memoria diretta di questi eventi, le … Continue reading

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The Logistic Map and the Feigenbaum Constants: a Retro Programming Inspired Excursion

“… Mitchell Feigenbaum was an unusual case. He had exactly one published article to his name, and he was working on nothing that seemed to have any particular promise. His hair was a ragged mane, sweeping back from his wide … Continue reading

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Numerical Integration of Differential Equations. Part I.: Katherine Goble and the Euler’s Method.

This article was inspired by the beautiful 2016 movie Hidden Figures (based on the book of the same name by M. L. Shetterley) which tell the dramatic story of three talented black women scientist that worked as “human computers” for … Continue reading

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The Calculation of the Lattice Energy: The Born-Haber Cycle

My blog in italian on this topics is very popular and for this reason I decided to add an English translation (when I have some free time, I will also translate the text in the Figure and Table). So be … Continue reading

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Modelling Patterns and Forms in Nature II: (Easter) Eggs

When you start with a portrait and search for a pure form, a clear volume, through successive eliminations, you arrive inevitably at the egg. Likewise, starting with the egg and following the same process in reverse, one finishes with the portrait. PABLO PICASSO Easter … Continue reading

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I Primi 150 Anni della Tavola Periodica degli Elementi

Che la nobiltà dell’Uomo, acquisita in cento secoli di prove e di errori, era consistita nel farsi signore della materia, e che io mi ero iscritto a Chimica perché a questa nobiltà mi volevo mantenere fedele. Che vincere la materia … Continue reading

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Calculus in a Nutshell: the Definite Integral of the Monovariate Functions

The definite integral is the key tool in calculus for defining and calculating quantities important to mathematics and science, such as areas, volumes, lengths of curved paths, probabilities, and the weights of various objects, just to mention a few. The … Continue reading

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