Category Archives: Programming

Retro programming nostalgia V: L’Equilibrio e la Titolazione Acido/Base (Parte II)

Posted on March 13, 2021 by Danilo Roccatano

Questo secondo articolo continua il mio personale viaggio retro-computazionale delle titolazioni acido/base. Nell’articolo precedente, ho mostrato come calcolare un equilibrio acido base per acidi e basi forti. In questo articolo, vengono descritte anche le subroutines per le titolazioni di acidi … Continue reading →

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Physical Chemistry: The Simple Hückel Method (Part III)

Posted on December 19, 2020 by Danilo Roccatano

In the previous article, we have learn how to set up the Hückel determinant for conjugated linear molecules based on the topology of the -bonds. In this third article, we will apply the method to cyclic molecules and will derive … Continue reading →

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A Practical Introduction to the C Language for Computational Chemistry. Part 3

Posted on October 16, 2020 by Danilo Roccatano

Sphere. From Space, from Space, Sir: whence else? Square. Pardon me, my Lord, but is not your Lordship already in Space, your Lordship and his humble servant, even at this moment? Sphere. Pooh! what do you know of Space? Define Space. Square. Space, my … Continue reading →

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A Practical Introduction to the C Language for Computational Chemistry. Part 2

Posted on September 27, 2020 by Danilo Roccatano

In the first part of this introduction to C language, we have learnt the basic of the C language by writing simple programs for the calculation of the non-bonded interaction between two particles at variable distances. Some solutions to the … Continue reading →

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The Dandelion (Taraxacum Officinalis) and OpenCV

Posted on September 16, 2020 by Danilo Roccatano

The dandelion’s pallid tubeAstonishes the grass,And winter instantly becomesAn Infinite Alas — The tube uplifts a signal BudAnd then a shouting Flower, —The Proclamation of the SunsThat septulture is o’er. – Emily Dickinson The yellow flowers and the delicate and … Continue reading →

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Programming in Awk Language. LiStaLiA: Little Statistics Library in Awk. Part I.

Posted on June 30, 2020 by Danilo Roccatano

In the following previous Awk programming articles The AWK Programming Language Awk Programming II: Life in a Shell Awk Programming III: the One-Dimensional Cellular Automaton I have given a short introduction to this very useful Unix program by also showing two example of … Continue reading →

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Retro programming nostalgia IV: L’Equilibrio e la Titolazione Acido/Base

Posted on April 14, 2020 by Danilo Roccatano

La motivazione per questo articolo nasce dal mio interesse per il retro-computing connesso, da una parte, alla rivalutazione delle mie esplorazioni giovanili del calcolo scientifico in linguaggio BASIC e dall’altra, alla popolarità che, negli ultimi anni, stanno avendo nel settore … Continue reading →

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

Posted on August 31, 2019 by Danilo Roccatano

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

Posted on July 13, 2019 by Danilo Roccatano

“… 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.

Posted on May 31, 2019 by Danilo Roccatano

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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