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.

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

This blog was inspired by the beautiful 2016 movie Hidden Figures (based on the book of the same name by M. L. Shetterley) which tell the drammatic 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 Natural Shape 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

Il 6 di Marzo del 1869 il chimico russo Dmitri Ivanovich Mendeleyev presento’ alla Societa’ di Chimica Russa, una comunicazione dal titolo La dipendenza delle proprieta’ degli elementi chimica dal peso atomico. In questa storica comunicazione, Mendeleev pesento’ una tabella in … Continue reading

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The Lissajous-Bowditch Curves

Try to glue a small mirror to an end of a bent piece of wire fixed to a stable platform and let the laser beam of a laser pointer reflect on it. Entangled spires of an ephemeral dragon of light will … Continue reading

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The Magic Imaginary Numbers

Complex numbers may appear a difficult subject given the name. However, there is nothing of really complicated about complex numbers. However, they definitively add a pinch of \em magic \em in the mathematics manipulations that you can do with them!

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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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