Journal Article

On the shoulder of giants

Sancho-García, J. C.

2024

Overview

The definition which is probably closer to what it is now assumed to be common practice in our field was given by Per-Olov Löwdin in 1967 [2], who pointed out a number of important (and still alive) specificities of any quantum-based field of study: (i) its interest in the determination of the electronic properties of atoms, more complex molecules and aggregates; (ii) the interaction of theory, experiments, mathematics, and computational algorithms in the construction of the core concepts and its methodology; and (iii) the convenient relationship with the subjects of mathematics and physics. In light of this precedent, it is hardly necessary to emphasize how I am grateful and honored to have been proposed to assume the role of Editor-in-Chief, and to have been given the opportunity to serve to the whole scientific community from this position. The collections scheduled along 2024–2025 will include not only emerging topics (e.g., machine learning meets quantum chemistry) but are also intended to cover fundamental yet challenging questions dealing with excited states dynamics and reactivity, many-body electronic structure methods, or charge transfer and electronic coupling, to name just a few of them, which we believe they constitute a hallmark for the theoretical and computational chemistry field.

• Publisher: Springer Berlin Heidelberg,Springer Nature B.V
• Subject: Atomic/Molecular Structure and Spectra / Charge transfer / Chemistry / Chemistry and Materials Science / Computational chemistry / Editorial / Efficiency / Electronic properties / Electronic structure / Inorganic Chemistry / Machine learning / Organic Chemistry / Physical Chemistry / Quantum chemistry / Theoretical and Computational Chemistry