Wanda Andreoni

Wanda Andreoni is a researcher at École Polytechnique Fédérale de Lausanne (EPFL), affiliated with the School of Basic Sciences (SB) and the Institute of Theoretical Physics (ITP). Her work focuses on computational chemistry, nanomaterials, and environmental science, with a strong emphasis on molecular simulations and ab initio methods. Key research areas include CO₂ capture mechanisms in amine solutions, carbon nanotube chemistry, and heavy metal adsorption using natural materials. She has collaborated extensively with researchers such as Fabio Pietrucci and Jaap Kroes, contributing to over 15 peer-reviewed publications since 2001. Notable projects include elucidating reaction pathways for CO₂ capture and exploring structural deformations in carbon nanotubes via quantum simulations. Her studies bridge theoretical models with experimental insights, advancing sustainable technologies and materials science.

Dr. Andreoni’s research integrates computational tools like density functional theory (DFT) and metadynamics to investigate complex systems, including graphene flake transformations and semiconductor surface dynamics. Her recent work highlights the critical role of water in chemical reactions within amine solutions, challenging earlier assumptions and informing the design of efficient CO₂ capture solvents. She also explores environmental applications, such as using bioorganic materials for lead ion removal from water, demonstrating practical solutions to pollution challenges.

Publications span journals like Journal of Chemical Theory and Computation and Chemical Science, with contributions to both fundamental understanding and applied technologies. Her interdisciplinary approach addresses global issues like climate change and water quality through advanced computational modeling.