Introduction to Monte Carlo Simulation Methods for Chemistry and Physics

Alberto Gustavo Albesa is an Independent Researcher at the National Scientific and Technical Research Council (CONICET), Argentina, based at the Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas (INIFTA, CONICET–Universidad Nacional de La Plata). He is also a Professor of Chemistry at the Universidad Nacional de La Plata (UNLP). He received his degree in Chemical Sciences in 2006 and his PhD in Chemistry in 2011 from UNLP, where his doctoral research focused on gas adsorption on carbon nanostructures. His research combines statistical mechanics, molecular modelling, and computational simulation, with particular emphasis on Monte Carlo methods. His work encompasses adsorption and separation in carbonaceous and nanoporous materials, metal–organic frameworks, molecular and ionic transport in functionalized nanopores, and stimuli-responsive polymers and nanogels. He has authored and co-authored numerous peer-reviewed scientific publications, led nationally funded research projects, and supervised undergraduate, doctoral, and postdoctoral researchers. His research has also involved international collaborations with academic institutions in Europe and the United States. Alongside his scientific work, he has extensive experience in university teaching, scientific outreach, and the development of educational resources connecting mathematics, physical chemistry, and computational methods.

Carlos Wexler is Professor and Chair of the Department of Physics and Astronomy at the University of Missouri, USA and Co-Director of its Materials Science and Engineering Institute. He holds a PhD in physics from the University of Washington, working under the supervision of David Thouless (2016 Nobel in Physics). His research combines theoretical modelling and computer simulations to study materials structure and function, adsorption, porous materials, and phase transitions. He also develops undergraduate and graduate teaching in physics and statistical thermodynamics. He has co-authored over 90 publications. He has been a faculty member at the University of Missouri for over 27 years, and as a visiting Professor at the Universities of Tokyo (Japan), Aix-Marseille (France), Federal do Ceará (Brazil), Nacional de San Luis and Nacional de La Plata (Argentina), and Wroclaw University of Science and Technology (Poland). He is a Fulbright and Erasmus-Mundus Fellow. His research has been funded by the National Science Foundation, the Departments of Energy and Defense, the California Energy Commission, and the American Chemical Society Petroleum Research Fund.