Lucía Morán, a PhD student who is under Prof. Feliu Maseras’ supervision, has successfully defended her PhD thesis entitled “Decoding Chemical Processes: The Power of Data-Driven Descriptors” publicly on December 14th.
The members of the evaluation committee were Prof. Natalie Fey (University of Bristol, UK), Prof. Jordi Carbó (Universitat Rovira i Virgili) and Prof. Israel Fernández López (Universidad Complutense de Madrid)
Dr. Morán was born in León and studied chemistry at University of Salamanca. Then she moved to Tarragona to pursue her Master’s degree on Synthesis, Catalysis and Molecular Design, and later on she received an FI grant from the Generalitat de Catalunya for her PhD studies. Lucía’s hobbies include sports in general. Currently she is into climbing and hiking, but in the past, it was basketball.
Why did you become a scientist?
Becoming a scientist was more of a natural evolution for me than a conscious decision. I found that I enjoyed mathematics, physics, and chemistry, whereas linguistics proved to be a challenge for me. So, I chose to follow the path where I felt most at ease, driven by curiosity and motivation that led me to pursue a career in science.
What do you want to achieve as a scientist?
I would like to make a small contribution to society. I am driven by the idea that even a small contribution can have a significant and positive impact on the world.
What is your thesis about?
My thesis is based on the use of computational tools to develop chemical descriptors and apply them to enhance the understanding and prediction of chemical processes. These data-driven strategies can anticipate the behaviour of chemical systems, minimising the waste of the trial-and-error experiments, and discovering chemical models that computational chemistry can offer with less time and risk.
What triggered your interest for the subject of your thesis?
I discovered computational chemistry in the last year of my bachelor, during my final research project. I was very curious by this way of doing research in chemistry that relies on physics and mathematics much more than experimental branches. And more importantly, I do not need to work in an experimental lab where I do not feel so comfortable.
The thing that I like most about my thesis is….
The interconnection between chemistry and mathematical tools.
From the lessons learnt (or skills developed) at ICIQ, which one do you value the most?
Beyond the technical aspects of my work, I’ve come to appreciate that how well we present and communicate our findings significantly influences how they are received by the audience.
What ICIQ moment you´ll never forget?
ICIQ calçotada is the top event of the computational lab. Many unrepeatable histories.
What advice do you have for someone who’s starting their PhD now?
Find a way to organize your tasks. Use notebooks, electronic agendas, or email reminders, but write down your work daily or weekly to keep track your process and feel that you are making progress. And learn a bit of coding.
Who/What has been your biggest influence/motivation?
I do not have a single person in my mind. The collective influence of everyone who has supported me, from my chemistry teacher to my supervisors and colleagues. They have been my greatest motivation.
Where are you going next? What will you do there?
I will be working as a postdoc at the Hylleraas Centre for Quantum Molecular Science at the University of Oslo, under the supervision of Dr. Ainara Nova.
Chemistry/Science is fun because…
Is about thinking without limits.
What is your favourite molecule?
I would say [Os(=C(Me)(OMe)O3]2- complex. There is a long history upon this. People from the Maseras group will likely recall the name “comemeoso” in the terminal list of calculations.
If you were a piece of lab equipment, what would you be?
More than a specific piece of lab equipment, I would be a tool that significantly aided my focus during my PhD – “Soft Murmur.” This tool played a crucial role in helping me stay focused and maintain mental clarity throughout my work. Give it a try!
