Category Archives: What is new

Seminar Series: Molecular Dynamics Simulation of Biomolecules (Bremen 2004)

In this new series of post, I will report the slides of some of the seminar/lessons that I have delivered in the past years. Some of the information are updated but still there are a wealth of useful information. In … Continue reading

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Modelling Forms in Nature: Easter Chocolate Eggs 2021

This year, your Highness, we will be featuring square eggs.Peter Carl Fabergé The Easter Math Bunny is back again, and he is talking again of … eggs! Two years ago, I ended my blog with a question, “What about chocolate egg shapes?” It is … Continue reading

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

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)

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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Physical Chemistry: The Simple Hückel Method (Part II)

In the previous article, we have learn how to set up the Hückel determinant for an aromatic molecule based on the topology of the pi-bonds. In this second part, we are going to learn how to calculate from the determinantal … Continue reading

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

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

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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Chimica Fisica: La Termodinamica, La Meravigliosa Cattedrale Della Scienza. Parte I.

Indipendentemente dai motivi del culto, le antiche cattedrali invitano ad un’ammirata contemplazione, ispirano rispetto e quiete. Anche il visitatore piu’ disinvolto non si esimere dal moderare la voce, non insiste in argomenti futili: delle navate, l’eco delle sue stesse parole … Continue reading

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

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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