Computational Frontiers in Chemistry: AI, Quantum Methods, and Molecular Design

“Computational Frontiers in Chemistry” brings together core concepts and current thinking in Theoretical and Computational Chemistry, the work of Archana Sen. The volume is organised around AI, Quantum Methods, and Molecular Design. Detailed discussion is kept readable, so the material serves equally for structured study and for consultation. Aimed at students and researchers working in Theoretical and Computational Chemistry, it is published by Khushbu Publications, Bengaluru, India under its Prime Academic Publishing House imprint, and released in 2024.