CORE - PostDoc & Phd students - NET

Discover the research groups from CORENET partners and their contributions to the project in the fields of Systems Chemistry, AI, Metabolomics, and Microfluidics. Our page features five groups, including SysChem (UAM), focused on biohybrid materials and systems chemistry, Foodomics Group (CSIC), Algorithmic Cheminformatics Group (SDU), HuckLab (SRU) and the Physics and Science of Information Group which is part of the Science of Quantum and Information Technology Department at IBM Research Europe – Zurich, focussed on fundamental research in information processing and the future of computing. Join and explore the latest research and advancements in these exciting fields.

SysChem: Group of Biohybrid Materials and Systems Chemistry (UAM)

Dr. Andres de la Escosura heads the Biohybrid Materials and Systems Chemistry research line at the Organic Chemistry Department of UAM. The SysChem group focuses on designing and synthesizing novel supramolecular and nanostructured hybrids using both synthetic and biological components. They also study the complex biological functions of these hybrids.

PostDoc & Phd students

I graduated in Chemistry in 2021. Them, I studied a Master in Organic Chemistry at UAM, where I joined de la Escosura group and worked in the designing of bioorganic hybrids capable of forming autocatalytic networks. Now, as PhD student, I’m focussing on expanding previously mentioned networks to more complex systems with higher functionalities. I enjoy hanging around with friends and practising sports but I’m also a big fan of movie nights. I’m always open to know new people and hear different points of view.

“In CORENET, I appreciate the growth opportunities through engaging with experts across various chemistry disciplines from academia and industry.”


B.Sc. in Chemistry, 2021, Autonomous University of Madrid , Spain 

M.Sc.  in Organic Chemistry, 2022, Autonomous University of Madrid, Spain

Ph.D. in Organic Chemistry (2022 – to present), Autonomous University of Madrid , Spain


Supramolecular Chemistry and Replication Networks

Social media:

ORCID, Linkedln

Daniel Gonzalez Santamari­a graduated in Environmental Sciences in 2015 a diverse education in topics including biology, geology, and chemistry. During his master’s and PhD Daniel specialized in the science of clay minerals. Throughout his master’s and PhD, he focused on the field of clay minerals. However, his interests shifted towards researching the impact of minerals on vital biomolecules for the origin of life. He began his research in the Cronin Group and is now continuing his work under the guidance of the Andrés de la Escosura group. In his free time, Daniel enjoys road cycling and spending time with his friends and colleagues.

“Through the CORENET project, I appreciate the opportunity to exchange experiences and knowledge with researchers from renowned universities.” 


B.Sc. in Environmental Science, 2015, Autonomous University of Madrid, Spain

M. Sc. in Applied Chemistry, Autonomous University of Madrid, Spain

Ph.D. in Clay Science, Autonomous University of Madrid Spain


Geochemistry and biochemistry

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During my pursuit of both Bachelor’s and Master’s degrees, I dedicated two years to working in the Inorganic Chemistry department’s nanomaterials lab. Presently, I am working towards my PhD in Organic Chemistry at the Autonomous University of Madrid, under the guidance of Andrés de la Escosura. My primary research interests lie in the areas of Prebiotic Chemistry and Systems Chemistry.

“In the CORENET project, I value the opportunity to collaborate and share ideas with experts in the field.”


B.Sc. in Chemistry,2017, Autonomous University of Madrid, Spain

M.Sc. in Advanced Materials, Nanotechnology and Photonics, 2018, Autonomous University of Madrid, Spain

Ph.D. in Organic Chemistry, Autonomous University of Madrid, Spain


Prebiotic Chemistry and Supramolecular Chemistry

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I am Assistant Professor at Universidad Autónoma de Madrid. My research is primarily focused on studying chemical reactivity and reaction mechanisms through the use of ab initio and/or DFT calculations. My particular interests lie in the areas of catalysis, both homogeneous and heterogeneous, as well as photochemistry. By leveraging computational tools, my goal is to gain a more comprehensive understanding of these complex chemical processes, identify potential pathways for optimizing their efficiency and selectivity, and ultimately contribute to the development of new and innovative technologies in these fields.

“The multidisciplinary character of this project allows a fruitful exchange of ideas.”



B.Sc. in Chemistry, 2013, Universidad Autónoma de Madrid, Spain

M.Sc. in Theoretical Chemistry and Computational Modeling, 2015, Universidad Autónoma de Madrid, Spain

Ph.D. in in Theoretical Chemistry and Computational Modeling, 2019, Universidad Autónoma de Madrid, Spain


Quantum Chemistry, Catalysis, Theoretical Organic Chemistry

Social media:

Google Scholar, ResearchGate, ORCID, LinkedIn

I carried out my Ph.D. studies under the supervision of Dr José Alemán and Dr Rubén Mas Ballesté in Autonomous University of Madrid. During those years, I performed research projects in different fields of catalysis in Organic Chemistry (Photocatalysis, Organocatalysis, catalytic MOF and COF materials), doing both experimental and computational work.

In 2020, I joined Dr José Luis Vicario’s group (University of Basque Country) where I strengthened my knowledge and abilities in Organocatalysis and multi-step synthesis, developing new methodologies in this area. In 2022, I worked in Dr Marta Gutiérrez’s group (IQM-CSIC), synthesising compounds with potential activity against the virus SARS-CoV-2. Nowadays, I work in Dr Andrés de la Escosura’s group, studying the formation of biomolecules in prebiotic conditions.

“CORENET project gives me the opportunity to learn from researchers from other fields of science and combine our experience in common objectives.”


B.Sc. in Chemistry, 2013, Autonomous University of Madrid, Spain

M.Sc. in Organic Chemistry, 2014, Autonomous University of Madrid, Spain

Ph.D. in Organic Chemistry, 2019, Autonomous University of Madrid, Spain


Organocatalysis, Photocatalysis, Biochemistry and Computational Organic Chemistry

Social media:

LinkedInResearchGateORCID, Web of Science

During my Bachelor´s studies I worked in azoderivatives as Hypoxia sensors. Nowadays, I am a PhD student in organic Chemistry in Autonomous University of Madrid. As a part of SysChem, my aim is to replicate biological reactions in prebiotic conditions.

“Through the CORENET proyect, I look forward to work with different experts from various universities from whom I can learn and collaborate”


Sc. In Chemistry, 2022, Autonomous University of Madrid, Spain

Sc. In Organic Chemistry,2023, Autonomous University of Madrid, Spain

Ph.D. in Organic Chemistry (2023 – to present), Autonomous University of Madrid, Spain


Prebiotic Chemistry, Organic Chemistry and Catalysis



Huck group (SRU)

The Huck group is an international, diverse and multidisciplinary team of chemists, physicists, biologists, engineers, and computational scientists at the Institute for Molecules and Materials, Radboud University Nijmegen. The group’s research focuses on understanding life, including what it is, how it works, and where it could possibly come from. The Huck group is part of the Department of Physical Organic Chemistry, which also includes the Spruijt group (soft interfaces), Korevaar group (life-like materials), and Velema group.

PostDoc & Phd students

Quentin received his PhD degree in 2020 from the University of Mons in Belgium, where he focused on using mass spectrometry and ion mobility to analyze the conformation of synthetic polymers. During his doctoral studies, he traveled to the laboratory of Lars Konermann at the University of Western Ontario in Canada to conduct molecular dynamics simulations and investigate the mechanisms underlying Electrospray Ionization. After completing his PhD, Quentin joined Jana Roithová’s team at Radboud University to explore reaction mechanisms using mass spectrometry and ion spectroscopy. In 2022, he became a joint postdoc with the Huck Group to develop ion mobility and mass spectrometry as detection tools for reservoir computing.

“It is very exciting and stimulating to be part of an interdisciplinary research consortium with scientists from all around Europe.”


B.Sc. in Chemistry, 2014, Université de Mons, Belgium

M.Sc. in Organic Chemistry, 2016, Université de Mons, Belgium

Ph.D. in Chemistry, 2020, Université de Mons, Belgium


Mass spectrometry, Ion Mobility, Flow Chemistry, Reaction Networks

Social media:

Google Scholar, ResearchGate, LinkedIn, Twitter.

In 2021, Thijs de Jong completed his Master’s degree in Chemistry of Life at Radboud University. He began his internship in the Huck Group during this time, and after completing his degree, he remained in the lab to pursue his PhD. Thijs is passionate about exploring the ways in which chemical systems can be utilized to process information. Currently, his research is focused on investigating how the intricate chemistry involved in the prebiotic formose reaction can be harnessed for reservoir computing. In his free time, Thijs enjoys cooking, reading, hiking, and volunteering at Scouting.

“For me this is the interdisciplinary nature of the consortium, each collaborator has unique expertise while still working towards a common goal. It is great to be able to work together with, and learn from, scientists from a wide variety of backgrounds.”


B.Sc. in Science, 2019 Radboud University

M.Sc. in Chemistry of Life, 2021 Radboud University

Ph.D. student, Radboud University


Prebiotic Chemistry, Reservoir Computing, Molecular Information Processing, Flow Chemistry, Chemical Reaction Networks

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Mathieu earned his bachelor’s degree in Chemistry and Physics & Astronomy at Radboud University, and a double master’s degree in Nanomaterials Science and Experimental Physics at Utrecht University. He completed his bachelor thesis in the Huck Group, where he explored the impact of temperature oscillations on enzymatic reaction networks. For his master’s thesis, Mathieu spent a year with the Colloid Group at Oxford University, where he studied grain boundary dynamics in colloidal crystals. He has since returned to Nijmegen for his PhD, investigating concepts of information processing and computation in (bio)chemical reaction networks, and developing techniques, methods, and applications to use chemical reaction networks as computational systems using Bayesian techniques and concepts from reservoir computation.

“In CORENET, I cherish the opportunity to be part of an international and highly interdisciplinary collaboration.”


BSc Chemistry and BSc Physics & Astronomy, 2018, Radboud University

MSc Nanomaterials and MSc Experimental Physics, 2021, Utrecht University

Ph.D. in Physical Organic Chemistry, Radboud University


Chemical Reaction Networks, Information Processing, Complex Systems, Reservoir Computation

Social media:

Google Scholar, LinkedIn.

Foodomics Lab (CSIC)

The Foodomics Lab is a research group that focuses on utilizing advanced analytical techniques, such as transcriptomics, proteomics, and metabolomics, to explore previously unattainable aspects of food and nutrition. Through cutting-edge research, the lab is able to uncover new insights and develop innovative solutions in the field of food science.

PostDoc & Phd students

Alberto Valdés is a Food Science and Technology graduate from Universidad Autónoma de Madrid, Spain. He earned his Ph.D. in Biology and Food Sciences from the Institute of Food Science Research – National Research Council (CIAL-CSIC, Spain) and was a Post-Doctoral researcher at Uppsala University (Sweden) and the University of Alcalá (Spain). 

He is currently a Juan de la Cierva Post-Doctoral researcher at the Foodomics Laboratory at CIAL-CSIC. His research focuses on the development and application of advanced analytical methods to identify and quantify the effect of natural food ingredients and extracts on the transcriptome, proteome, and metabolome of different models. His work has resulted in 35 scientific articles published in high-impact journals and 10 book chapters. He has also participated in various teaching tasks and presented in national and international conferences. Additionally, he has reviewed articles for different international journals.

“The multidisciplinary capacity of the consortium, composed of internationally recognized partners and prestigious scientists, shares and combines their knowledge to understand complex chemical systems through the application of cutting-edge technologies in systems chemistry, microfluidics, metabolomics and artificial intelligence”


Bachelor’s degree in Food Science and Technology, 2010, UAM, Spain.

Postgraduate student, 2011, UAM-CIAL-CSIC, Spain.

Ph.D. in Biology and Food Sciences, 2016, CIAL-CSIC, Spain.

Post-Doctoral researcher in Analytical Chemistry department, 2016-2018, Uppsala University, Sweden.

Juan de la Cierva Formación – Post-Doctoral researcher in Analytical Chemistry, Physical Chemistry and Chemical Engineering department, 2018-2020, UAH, Spain.

Visitor Scientist in Fiehn Laboratory at UC Davis, USA, for 7 months during 2018-2020.

Juan de la Cierva Incorporación – Post-Doctoral researcher in Foodomics Laboratory, currently at CIAL-CSIC, Spain.


Bioinformatics, Chemometrics, Foodomics, Food Science, Mass Spectrometry, Metabolomics, Proteomics, Transcriptomics

Social media:

ORCID, Web of Science, ResearchGate

Algorithmic Cheminformatics Group (SDU)

The Algorithmic Cheminformatics Group is a research group that focuses on developing new approaches for synthetic design and discovery of advantageous pathways in chemistry. They use algebraic graph rewriting approaches to model chemistry, which allows for a direct application of results from theoretical Computer Science and graph theory. Their research results are implemented in MØD, a software package developed for graph-based cheminformatics. The group’s main research focus includes Chemical Graph Theory, Graph Transformation, Algorithmic / Discrete Cheminformatics, and more. The group aims to revolutionize the understanding of Chemical Reaction Networks and develop new, conceptually innovative approaches for synthetic design and discovery of advantageous pathways.

PostDoc & Phd students

Mehmet Aziz Yirik is a postdoctoral researcher at the University of Southern Denmark, where he has been since June 2022. He obtained his PhD from Friedrich-Schiller University Jena in Germany, where he focused on the development of open-source chemical graph generators using algorithmic group theory. His work resulted in the creation of two chemical graph generators, maygen and surge, which outperformed the established gold standard in the field.

In addition to his work in chemistry, Yirik has also studied protein-ligand interactions and network analysis in the treatment of neural diseases, such as Alzheimer’s and epilepsy. He has presented his work at various conferences, including the Cambridge Cheminformatics Meeting.

Outside of his academic work, Yirik has a passion for fine arts, particularly movies and music.

“I enjoy applying my mathematics and computer science knowledge into the development of efficient tools for health sciences and working as a part of such an interdisciplinary team.”


B.Sc. in Mathematics, 2013, Mimar Sinan Fine Arts University, Turkiye

M.Sc. in Computational Science and Engineering, 2017, Boğaziçi University, Turkiye

Ph.D. in Algorithmic Cheminformatics, 2022, Friedrich-Schiller University Jena, Germany


Mathematics, Cheminformatics, Machine Learning

Social media:

Github , Linkedin, Twitter, ORCID

Physics and Science of Information Group (IBM Research - Zurich)

The Physics and Science of Information Group is part of the Science of Quantum and Information Technology Department at IBM Research Europe – Zurich. The group focusses on fundamental research in information processing and the future of computing. Semiconductor fabrication technology is the foundational basis that enables molecular compounds to be integrated into electronic devices, surfaces to be site-selectively functionalized and scalable reaction compartments for homogeneous and heterogeneous catalysis to be created. One focus lies on automating chemical processes and the stringent control of reaction conditions to automatically screen reaction pathways and to enable accelerated material discovery by combinatorial and divergent catalysis. Link to AI and quantum computing activities allow the chemical hardware to be assembled to a system that can learn, adapt, and optimize reactions based on feedback mechanisms.

PostDoc & Phd students

Katja-Sophia joined IBM Research Europe – Zurich as a Postdoctoral researcher in August 2023. Her work in CORENET focuses on the deployment of complex chemical reaction networks (CRNs) for chemical computing applications.

She studied chemistry with a focus on Computational Quantum Chemistry at Freie Universität Berlin, Ludwig-Maximilians-Universität Munich, and Oxford University and obtained her PhD in Quantum Chemistry in 2023 from ETH Zürich under the supervision of Prof. Dr. Markus Reiher with the title “Autonomous Construction of Quantum Hybrid Models for Biochemical Applications”.

Her doctoral work focused on the automated exploration of chemical reactions and reaction networks in nanoscopic structures via black-box constructible quantum-classical hybrid models.

“It is easier and far more effective to reach an ambitious goal if you approach it from different perspectives. That’s why Corenet is such a fascinating and promising collaboration.”

Education: BSc. (FU Berlin) and MSc. (LMU Munich) In Chemistry andPhD in Computational Quantum Chemistry from ETH Zürich.

Interests: Computational chemistry, chemical computing, catalysis, cheminformatics, machine learning, reservoir computing.

Social media: Linkedin and X

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