Penélope Lodeyro (National University of Córdoba): Publications

Córdoba, Córdoba Province, Argentina

Areas of Interest

16

Re-evaluating semi-empirical computer simulations in quantum chemistry
with María Silvia Polzella

Foundations of Chemistry 21 (1): 83-95. 2019.

Usually within the context of computer simulations in quantum chemistry practices, there is a distinction between ab initio and semi-empirical methods. Related to this, a controversy within the scientific and philosophical communities came about regarding the superiority of the ab initio methods due to their theoretical rigor. In this article we re-evaluate the condition of the semi-empirical simulations in this area of research. We examine some of the aspects of this debate that have been consi…Read more
Usually within the context of computer simulations in quantum chemistry practices, there is a distinction between ab initio and semi-empirical methods. Related to this, a controversy within the scientific and philosophical communities came about regarding the superiority of the ab initio methods due to their theoretical rigor. In this article we re-evaluate the condition of the semi-empirical simulations in this area of research. We examine some of the aspects of this debate that have been considered in philosophy and provide additional elements to the analysis.

Philosophy of Chemistry
Epistemología e historia de la ciencia: Selección de trabajos de las XIX jornadas (edited book)
with Diego Letzen

. 2009.

Penélope Lodeyro