Bibliografía básica Kurt Binder, Dieter W. Heermann (2019). Monte Carlo Simulation in Statistical Physics: An Introduction. 6th ed.. Springer (Graduate Texts in Physics)
Anosh Joseph (2020). Markov Chain Monte Carlo Methods in Quantum Field Theories A Modern Primer. Springer
EMMANUEL GOBET (2016). Monte-Carlo Methods and Stochastic Processes From Linear to Non-Linear. CRC Press
Hans Petter Langtangen , Kent-Andre Mardal (2019). Introduction to Numerical Methods for Variational Problems (http://hplgit.github.io/INF5620/doc/pub/H14/fem/html/main_fem.html). Springer
Jorge Kohanoff (2006). Electronic structure calculations for solids and molecules : theory and computational methods / Jorge Kohanoff. Cambridge University Press
Kálmán Varga, Joseph A. Driscoll. (2011). Computational nanoscience: applications for molecules, clusters, and solids. Cambridge University Press
Jean Demaison, James E. Boggs, Attila G. Csaszar (2010). Equilibrium molecular structures: from spectroscopy to quantum chemistry. CRC Press
Prof. Dr. Wolfram Koch, Dr. Max C. Holthausen (2001). A Chemist's Guide to Density Functional Theory. Wiley-VCH Verlag GmbH
Charles M. Quinn (2002). Computational quantum chemistry an interactive guide to basis set theory. Academic Press
David S., Steckel, Janice A. (2009). Density Functional Theory: A Practical Introduction. John Wiley & Sons, Inc.
Jensen, Frank (2007). Introduction to computational chemistry. John Wiley & Sons
Cram101 Textbook Reviews (2013). Studyguide for introduction to computational chemistry by Jensen, Frank. Content Technologies, Inc.
Amarjitsing Rajput, Ganesh Shevalkar, Krutika Pardeshi, Prashant Pingale (2023). Computational nanoscience and technology . OpenNano

Bibliografía complementaria G. Ciarlet (1978). The Finite Element Method for Elliptic Problems. North Holland
Tao Pang (2012). An Introduction to Computational Physics. Cambridge University Press
Mats G. Larson, Fredrik Bengzon (2010). The Finite Element Method: Theory, Implementation, and Practice. Springer
JOS THIJSSEN (2007). COMPUTATIONAL PHYSICS. Cambridge University Press
Juan Andrés Bort (2001). Química teórica y computacional. Publicaciones de la Universitat Jaume I