Cristina Trujillo Del Valle

Dr

Personal profile

Research interests

Computational Organic Chemistry Group

Computational Strategies for Catalyst Design and Mechanistic Insights

Our research focuses on developing catalysts by combining computational methods with mechanistic studies. We aim to understand, predict, and control catalytic processes across diverse systems, from small-molecule organocatalysis to complex reactions. By integrating quantum chemical calculationsmachine learning, and experimental validation, we strive to develop efficient, selective catalysts and uncover the fundamental principles governing reactivity and selectivity.

Overview

Dr. Cristina Trujillo obtained her Ph.D. in Theoretical and Computational Chemistry in 2008 at the Universidad Autónoma de Madrid (Spain). During the period 2008-2016, she held several Postdoctoral positions in Spain (CSIC), Prague (Academy of Sciences), and Ireland (Trinity College Dublin). From 2016 until 2018 she worked at TCD as a Research Fellow. After that, she worked as an Assistant Lecturer at TU-Dublin in the School of Chemical & Pharmaceutical Sciences. She has been awarded the very competitive SFI-Starting Investigator Research Grant (SIRG, 2018) and L’Oreal-Unesco Women in Science UK and Ireland Fellowship -Highly Commended (2019). She worked as an independent researcher leading her own research group at TCD from 2019 to 2022. Currently, she is a Lecturer in Computational & Theoretical Chemistry at The University of Manchester.

She has expertise in highly fundamental topics within Computational Organic Chemistry such as asymmetric catalysis, computationally-led catalysis design, mechanisms of reaction, and non-covalent interactions. Her research interests are focused on the asymmetric catalysis field, with particular emphasis on the application of computational techniques in the design of organocatalysts, along with prediction and control of catalytic processes, with a direct impact on the development of products with different applications.

 

Expertise related to UN Sustainable Development Goals

In 2015, UN member states agreed to 17 global Sustainable Development Goals (SDGs) to end poverty, protect the planet and ensure prosperity for all. This person’s work contributes towards the following SDG(s):

  • SDG 3 - Good Health and Well-being
  • SDG 5 - Gender Equality
  • SDG 7 - Affordable and Clean Energy
  • SDG 13 - Climate Action

Areas of expertise

  • QD Chemistry
  • Computational Chemistry
  • Organocatalysis
  • non-covalent interactions

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