Team

The Alegre Group is actively recruiting team members. The group is launching a variety of projects in chemical machine learning and catalyst discovery, and is looking for researchers to lead them. If you have a background in computational and/or experimental mechanistic studies, or cheminformatics, please see the Working with Us tab for information about funding, scholarships and starting collaborations.

Postdoctoral Associates

David Dalmau Ginesta

David was born in Aragon, a northern region of Spain. He completed his BS, MS, and PhD in Chemistry at the University of Zaragoza under the supervision of Dr. Esteban P. Urriolabeitia and Dr. Juan V. Alegre Requena, focusing on the development of new amino acid-based luminescent compounds. Currently, he is a postdoctoral researcher specializing in data science and the automation of machine learning workflows for chemical applications. In his free time, he enjoys reading, hiking in his beloved Pyrenees, and travelling to new places.
               Contact:

Daniel Bosch i Coch

Daniel was born in Girona, Catalunya. He completed his BSc, MSc and PhD in Chemistry at the Universitat de Girona (IQCC) under the supervision of Prof. Lluís Blancafort on the computational study of melanin using quantum calculations, Machine Learning and Molecular Dynamics. He also worked as a Postdoc with Dr. Marc Garcia-Borràs and Dr. Ferran Feixas. Currently, he is a postdoctoral researcher specialising in data science and the automation of ML workflows for chemical applications. In his free time, he enjoys playing football, tennis, board games and video games. He is also a music producer.
               Contact:

PhD Students

Juho Savola

Juho was born and raised in Helsinki, the capital of Finland. He completed his BS in Chemical Engineering and MS in Organic Chemistry in Aalto university. Currently, he is pursuing a PhD in the University of Helsinki, focusing on photocatalytic C-C couplings using semiquinones as novel photoorganocatalysts. On his free time Juho likes to practice all kinds of sports, especially judo which has been his hobby for more than 20 years. Additionally, he enjoys gaming, reading and travelling. Cosupervised with Dr. Juho Helaja.
     Contact:

Miguel Martínez Fernández

Miguel was born in Madrid. He completed his BS in Chemistry and MS in Organic Chemistry at the Complutense University of Madrid. Then, he immersed himself in the field of data science and machine learning by completing a master's program. This multidisciplinary journey unites his background in chemistry with computational tools. Currently, he is a PhD student working on cheminformatics and machine learning. In his free time, he enjoys nature, practices various sports, and has a keen interest in technology, particularly anything related to computer science.
     Contact:

Itzel Muro Puente

Itzel was born in Guadalajara, Jalisco, a region of Mexico. She obtained her BSC in Chemistry at the Universidad Nacional Autónoma de México. Subsequently, she went on to complete her MS in Chemistry and Materials at the Université de Lille in France. She is currently pursuing her PhD in Computational Chemistry and Machine Learning. In her free time she enjoys baking, running and being outdoors. Cosupervised with Dr. Marc Garcia-Borràs.
               Contact:

Ashith Thayyil

Ashith was born in Kerala, a state in India. He completed his integrated master's in chemistry from Central University of Tamil Nadu. After Completing his MSc he worked with Dr. Priya Kumari C P for 2 years in the Indian Institute of Technology Palakkad. In his free time, he likes to travel and play football.
               Contact:

Alice Genovese

Alice was born in Turin, in the north of Italy. She completed her BS in Chemistry and Chemical Technologies and her MS in Chemistry at the University of Turin. She is currently pursuing her PhD at the University of Zaragoza, where she is focusing on understanding reaction mechanisms with the help of machine learning tools. In her free time, she enjoys travelling cities and playing board games and video games.
     Contact:

Shukriya Saher

Shukriya completed her MChem in Chemistry with a Year Abroad at the University of Leicester under the supervision of Prof. Shengfu Yang on the computational study of 1,3-benzoxazine ring-opening polymerisation. She spent her 3rd year at the University of Florida, research cooperativity reactivity in aluminium complexes with Prof. Leslie Murray. These projects developed her interest in understanding reaction mechanisms. Currently, she is pursuing her PhD at the University of Manchester, focusing on catalytic mechanisms, combining quantum chemistry and machine learning. In her free time, Shukriya enjoys reading, gaming, and going to the gym. Cosupervised with Dr. Cristina Trujillo.
     Contact:

Undergraduate Students

Javier Cruz Oliver

Javier Cruz was born in Zaragoza, Spain. He completed his Bachelor’s degree in chemistry at the University of Zaragoza. He is currently studying the Erasmus Mundus Master in Theoretical Chemistry and Computational Modelling. His research interests focus on the intersection between Machine Learning and molecular properties, specifically in biological compounds. After obtaining the JAE Intro 2025 fellowship, he joined the group. In his free time, he enjoys training and discovering new cultures by traveling.
               Contact:

Fernando González Conesa

Fernando was born in Huelva, Spain. He completed his Bachelor’s degree in Chemistry at the University of Huelva and is currently studying the Master’s Degree in Molecular Design and Homogeneous Catalysis at the University of Zaragoza. His research interests focus on the intersection between organometallic chemistry, homogeneous catalysis and computational chemistry, particularly in the study and design of molecular systems and catalytic processes.  In his free time he enjoys travelling, playing video games and following sports.
Contact:

Daniel Ruiz Roca

Daniel was born in Zaragoza, Spain. He is currently pursuing a Bachelor's degree in Chemistry at the University of Zaragoza while working at Teva, a pharmaceutical company based in the province of Zaragoza. His main interests lie in combining theoretical and computational methods with machine learning and applying them to real-world problems in chemistry. He is particularly interested in the intersection between chemistry, computational science, and artificial intelligence. In his free time, he enjoys driving both cars and motorcycles, as well as playing video games.
     Contact:

Jorge Laguarta Molina

Jorge was born in Huesca, Spain. He is currently completing his Bachelor's degree in chemistry at the University of Zaragoza. He has particular interest in theorical and computational chemistry, especially in its application to biological and molecular systems. He is interested in using computational and machine learning approaches to explore molecular properties and interactions. In his free time, he enjoys practicing different sports like judo or football, travelling, and discovering new places.
Contact:

Alumni

Darío M. Lorente Magallón. Undergraduate student (2025-2026)
Luis Miguel Reguera Ortiz. Undergraduate student (2025-2026)
Susana P. García Abellán. Postdoctoral associate (2024-2025)
Valeria Núñez Fugón. Master’s student (2024-2025)
Javier Cruz Oliver. Undergraduate student (2025)
Luis Giner Tendero. Software developer intern (2025)
Brenda Manzanilla Viveros. Postdoctoral associate (2024-2025)
Valeria Núñez Fugón. Undergraduate student (2023-2024)
Daniel Juan Vicente. Master’s student (2023-2024)
Gonzalo Garcés Selvi. Undergraduate student (2022-2023)
Rafael Luna Madrid. Master’s student (2022-2023)

Previous visiting scholars

Till Schreyer. PhD student, Mateos group – University of Vienna (2026)
Arslan Ahmad. PhD student, Poater group – University of Girona (2026)
Daniel González Pinardo. PhD student, Fernández group – Complutense University of Madrid (2026)
Christopher Collison. Professor and Director of AI Hub – Rochester Institute of Technology (2025)
David Valiente Garcia. Associate professor – Miguel Hernandez University (2022-2024)
Nil Sanosa. PhD student, Funes group – University of La Rioja (2024)
Md Bin Yeamin. Postdoctoral associate, Poater group – University of Girona (2023)
Iida Alanko. PhD student, Helaja group – University of Helsinki (2023)