Welcome to my website!

Alessio Valentini Ph.D.

I am a passionate researcher that lives at the interface between theoretical chemistry and computer science.

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Resume and cv

My resume

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Check out my resume and CV!!

My Portfolio

Some of my work!

Attosecond Quantum Dynamics.

Grid Quantum Propagator

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Reaction discovery, retrosynthesis.

Retropaths

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Surface Hop, Molecular Dynamics.

Semiclassical Molecular Dynamics

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Experience

My background

In my career I have continuously delivered high level software to solve chemistry problems. I am an eager learner and I love to tackle new challenges.

2020-Present

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Associate researcher

Project leader and main package developer of Retropaths, a brand new package to discover chemical reactivity using graph theory. Developed several protocols to interface the program to reaction discovery and ab initio calculations.

2016-2019

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PostDoc

Project leader and main developer of a package to perform Quantum Dynamics (and relative analysis) for Attosecond time-scale events.

2015-2016

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PostDoc

Streamlined the modelling of photoactive proteins to automatize the study of their excited state dynamic behavior (fluorescence and non radiative decay).

2015

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PhD in computational chemistry

I got my PhD in Spain, Alcala de Henares. I focused on surface hop semiclassical molecular dynamics applied to natural and synthetic photoactive systems.

2011

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Master in Chemistry

I got my master degree in Italy, University of Siena (hosting lab in Bowling Green state university, OH). My research was on the automatic generation of QM/MM models for photoactive proteins.

2008

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Bachelor in Chemistry

I got my batchelor degree at the University of Siena (hosting lab University of Wageningen, NL). I studied the prediction of protein folding using bioinformatics tools.

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My Skills

My tools

I leveraged many programming languages and techniques to deliver prime chemistry software. My workhorses are Python and Bash, but I also employed pure functional programming, like Haskell, or extremely optimized routines in CUDA, cython, fortran and C++. I have a passion for data analysis and video effects.

Python
95%
Data wrangling
90%
HPC programming
80%
Multimedia (Blender/Gimp/Inkscape)
95%