Hi! I'm Pierre Beaujean.

I'm a Ph.D. student (in the field of quantum chemistry, more specifically nonlinear optics) and Professor's assistant in the laboratory of Professor Benoît Champagne, in the University of Namur (in Belgium) where I also start a bachelor in Computer Science. During my free times, when I'm not reading, swimming, biking, or enjoying a beer with my friends, I'm involved in Zeste de Savoir, a French website for knowledges sharing.

Email

pierre.beaujean@unamur.be

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Research Topic

Dynamical nonlinear optical systems: a multiscale theoretical chemistry investigation

My Ph.D. thesis focuses on the evaluation of the nonlinear optical response of molecules or systems in gas or condensed phase. It includes computations at the Hartree-Fock, DFT or Coupled Cluster levels for the evaluation of the different contributions. The theoretical works is carried out in close collaboration with experimental characterizations, through our collaborators or the literature.

Scientific publications

P.  Beaujean and B. Champagne. "Coupled cluster evaluation of the second and third harmonic scattering responses of small molecules". Theo. Chem. Acc. 137, 50 (2018). DOI: 10.1007/s00214-018-2219-y.

B. Champagne, P. Beaujean, M. de Wergifosse, M. Hidalgo Cardenuto, V. Liégeois and F. Castet. "Quantum Chemical Methods for Predicting and Interpreting Second-Order Nonlinear Optical Properties: From Small to Extended π-Conjugated Molecules". In: M. Wójcik, H. Nakatsuji, B. Kirtman, Y. Ozaki (eds) Frontiers of Quantum Chemistry. Springer (Singapore). DOI: 10.1007/978-981-10-5651-2_6.

P.  Beaujean and B. Champagne. "Coupled cluster evaluation of the frequency dispersion of the first and second hyperpolarizabilities of water, methanol, and dimethyl ether". J. Chem. Phys. 145, 044311 (2016). DOI: 10.1063/1.4958736.

P. Beaujean, F. Bondu, A. Plaquet, J. Garcia-Amoros, J. Cusido, F.M. Raymo, F. Castet, V. Rodriguez and B. Champagne. "Oxazines: A New Class Of Second-Order Nonlinear Optical Switches". J. Am. Chem. Soc. 138, 5052 (2016). DOI: 10.1021/jacs.5b13243.

P. Beaujean and M. Kertesz. "Helical molecular redox actuators with pancake bonds?". Theor. Chem.  Acc. 134, 147 (2015). DOI: 10.1007/s00214-015-1750-3.

My skills

Comfortable with oral and writing communications in French (native) and English.

Quantum chemistry tools

Gaussian

GAMESS

Dalton

Avogadro

Chemcraft

Quantum chemistry methods

Hartree-Fock

DFT

CI

Coupled cluster

Used for the study (prediction and analysis) of molecular properties, through TDHF, TDDFT or response functions.

Programming languages

Python

C/C++

Bash

SQL

Javascript

HTML and CSS

Most of my codes are written in python 3, with the SciPy stack.

Visualization and writing tools

LaTeX

gnuplot

ChemDraw

LibreOffice

Microsoft Office

Other

Excellent knowledge in quantum, physical, biological, inorganic, and organic chemistry. Good knowledge in mathematics, group theory, physics and biology.

Good knowledge in UNIX-like operating systems (Linux and Mac OS), experience using Microsoft Windows.

Education and experiences

September 2018

1 week scientific trip in the laboratory of our collaborator, Lionel Sanguinet, to confront theoretical and experimental results on different systems (University of Angers, France).

May 2018

15 minutes talk at the METAMORPHOSE (doctoral school) scientific day on "Coupled cluster evaluation of the second and third harmonic scattering responses of small molecules" (UCL, Belgique).

January 2018

Presentation of a poster entitled "Coupled cluster evaluation of the second and third harmonic scattering responses of small molecules" at the Quantum Chemistry in Belgium (QCB) 13 symposium.

September 2017

Starting a Bachelor in Computer Science (evening classes) in the University of Namur in parallel of my Ph.D. thesis.

September 2016

15 minutes talk at the CTTC VII (Current Trends in Theoretical Chemistry VII) on "Coupled cluster evaluation of the frequency dispersion of the first and second hyperpolarizabilities of water, methanol, and dimethyl ether" (Krakow, Poland).

September 2015

Starting a Ph.D. Thesis (in 6 years) in the Laboratory of Theoretical Chemistry (LCT), under the supervision of Professor B. Champagne (University of Namur, Belgium), together with a position of Professor's assistant.

June 2015

Getting my Master's Degree in Chemistry (University of Namur, Belgium), obtained with "Distinction".

March 2015

3 months internship in the laboratory of Professor M. Kertesz (Georgetown University, USA), on the subject "Helical molecular actuators with pancake bonds".

January 2015

Presenting my Master's Thesis in quantum chemistry, made in the Laboratory of Theoretical Chemistry (LCT) under the supervision of Professor B. Champagne and Doctor A. Plaquet  (University of Namur, Belgium). The manuscript title is "Characterization of the second-order nonlinear optical properties of oxazine molecular switches by quantum chemistry calculation and hyper-Rayleigh scattering spectroscopy".

July 2014

2 weeks internship in the laboratory of Professor V. Rodriguez for the characterization of nonlinear optical (NLO) properties of some compounds from the oxazine family (University of Bordeaux I, France).

June 2013

Getting my Bachelor's Degree in Chemistry (University of Namur, Belgium), obtained with "Dinstinction".

Activities and interests

Teacher's assistant (2015 to today): exercises and practical sessions in general chemistry (first year of science), mathematics (second year of chemistry, in differential equations, linear algebra and group theory) and quantum chemistry (third and fourth year of chemistry, practical sessions with GAMESS).

Computer programing (2011 to today): development of many codes to extract and interpret data from calculation results, written during my master and Ph.D. thesis. Since 2014, regular contributions to the code of Zeste de Savoir, a knowledge-sharing platform written in Python.

Since September 2017, I started a bachelor in computer science in evening classes to improve my skills.

Private school coach (2011-2015): school coach in chemistry, biology, physics and mathematics.

Scout and summer camp leadership (2008-2014): in possession of a diploma of child animation capacity (BACV) obtained in 2011.

Other: swimming, reading, writing, coding, cooking, working in an international environment.