Muhammad Saad Naeem, a PhD student who is under Prof. Núria López and Prof. Ricard Garcia-Valls (URV) supervision has successfully defended his PhD thesis entitled “Theoretical Descriptors for Electrochemical Devices: Interfaces-Transport” publicly on Monday, November 10.
The members of the evaluation committee were Prof. Damien Laage (École Normale Supérieure, Paris), Prof. José Ramón Galán-Mascarós (ICIQ) and Dr. Carine Michel (École Normale Supérieure, Paris)
Muhammad Saad Naeem is from Pakistan, and his academic path has taken him across Europe, where he trained in computational chemistry and AI-driven materials discovery. Outside the lab, he enjoys reading philosophy, listening to music, and walking outdoors to clear his mind and think more clearly.
He received a Marie Skłodowska-Curie Fellowship, which significantly shaped his research trajectory and opened international scientific opportunities.
Why did you become a scientist?
Curiosity has always guided me. I became a scientist because I wanted to understand how the world works at the most fundamental level and contribute to meaningful technological progress.
What do you want to achieve as a scientist?
I want to accelerate the discovery of sustainable energy materials. My goal is to bridge chemistry and AI to move innovations from concept to real-world impact faster.
What is your thesis about?
My thesis focuses on combining quantum chemistry and machine learning to design and understand catalytic and membrane materials more efficiently. The aim is to build computational frameworks that guide development for energy-relevant devices.
What triggered your interest for the subject of your thesis?
The global need for clean energy solutions was a major motivation. I was also drawn to the intellectual challenge of understanding chemical reactivity through both physical laws and data-driven models.
What applications can your thesis have in the future?
The methods developed can support the discovery of efficient catalysts for hydrogen production and other sustainable chemical processes. They have potential to help accelerate green technology deployment in industry.
From the lessons learnt (or skills developed) at ICIQ, which one do you value the most?
The ability to think critically and systematically about complex problems. I also cultivated strong interdisciplinary communication skills, especially between experiemental and data science teams.
What ICIQ moment you´ll never forget?
The day I enthusiastically shook my smoothie and it responded by detonating over my computer, clothes, and part of my neighbour’s desk. The whole lab witnessed it, and I was kindly encouraged to go home and reconsider my life choices.
What do you wish you had known at the beginning of your PhD?
That science exists mainly to remind you you’re not as clever as you thought.
Have you ever been emotional over an experiment/simulation? Why?
I once simulated a polymer that decided to violently explode instead of behaving, and it taught me that even virtual matter sometimes wakes up and chooses drama.
Chemistry/Science is fun because…
It transforms questions into knowledge and ideas into real-world progress. There is a profound satisfaction in uncovering how nature works.
If you were a piece of lab equipment, what would you be?
A chair. In computational chemistry, that’s where 99% of the reactions actually happen.
Tell us something about you that people might not know…
I reflect a lot often through philosophy and poetry. It helps me think more deeply about both science and life.
La entrada مبارک ہو, Dr. Naeem! se publicó primero en ICIQ.