Quantum & Theoretical Chemistry

Chemical modelling covers a wide range of disciplines and this book is the first stop for any materials scientist, biochemist, chemist or molecular...

Written chemical formulas, such as C2H6O, can tell us the constituent atoms a molecule contains but they cannot differentiate between the possible ...

Chemical Modelling: Applications and Theory comprises critical literature reviews of all aspects of molecular modelling. Molecular modelling in thi...

Laser control of chemical dynamics is one of the active research fields in molecular science, brought about by significant advances in laser techno...

This book presents the induced representation method, a powerful technique in quantum mechanics with applications in condensed matter physics. Afte...

This book covers a range of topics in quantum mechanics and molecular dynamics simulation, including computational modeling and machine learning ap...

This book focuses on the multidisciplinary teamwork for the design of key interfaces in fuel cell devices. It covers the fabrication, modelling, an...

The book starts with the basics of Quantum Computing, Biocomputing, Quantum Biology, Quantum-DNA Computing, and DNA-Quantum Computing. It also disc...

This volume focuses on target-oriented approximations to drug discovery, including target selection, binding pocket detection, and current uses and...

New materials and manufacturing techniques are emerging with potential to address the challenges associated with the manufacture of pharmaceutical ...

This book describes the bioinformatics research field, from its historical roots to the cutting-edge technologies. Many readers can discover the po...

Density functional theory (DFT) provides the most widely used models for simulating molecules and materials based on the fundamental laws of quantu...

This book presents peer-reviewed articles and recent advances on the potential applications of Science and Mathematics for future technologies, fro...

This monograph explores the interdisciplinary applications of information theory, focusing on the concepts of entropy, mutual information, and thei...

The textbook is intended for the undergraduate and postgraduate students of chemistry, biology and medicine. It covers diverse topics of biophysica...

This book provides an up-to-date overview of data driven and evidence-based empirical approaches in the efficient application of chemodescriptors a...

This textbook provides a compendium of numerical methods to assist physics students and researchers in their daily work. It carefully considers err...

This book presents statistical physics methods based on self-consistent field theory for describing the thermodynamic properties of ion-molecular s...

This book discusses major topics and problems in finite element methods. It is targeted to graduate students and researchers in applied mathematics...

This book is a complete resource on pharmacokinetics, pharmacodynamics and pharmacogenomics in clinical practice. It consists of seven chapters tha...

The development of computational methods that support human health and environmental risk assessment of engineered nanomaterials (ENMs) has attract...

This book comprehensively explores the fascinating intersection of deep eutectic solvents (DES) and nanocellulose, focusing specifically on their e...