How life can emerge in a lifeless environment is one of the major open scientific challenges. This book pays particular attention to self-organization phenomena that might have led to the appearance of the first protocells, i.e. cell-like structures, much simpler than present-day cells, endowed with some primitive kinds of metabolism and heredity. After a brief description of the known facts and main hypotheses, mathematical and computational models of protocells are discussed: they should...

The monograph discusses models of synthetic protocells, which are cell-like structures obtained from non-living matter endowed with some rudimentary kind of metabolism and genetics, but much simpler than biological cells. They should grow and proliferate, generating offsprings that resemble in some way the parent protocells with some variation, so that selection may take place. Sustainable protocell populations have not yet been obtained experimentally and mathematical models are therefore...

This book constitutes the refereed post proceedings of the 17th Italian Workshop on Artificial Life and Evolutionary Computation, WIVACE 2023, held in Venice, Italy, during September 6–8, 2023.The 30 full papers included in this book were carefully reviewed and selected from 55 submissions. They were organized in topical sections as follows: Algorithms for complex systems, Biologically inspired models, Complex chemical systems, Adaptation and swarms, Learning, Medicine and Social s...

This book constitutes the revised selected papers of the 12th Italian Workshop on Advances in Artificial Life, Evolutionary Computation, WIVACE 2017, held in Venice, Italy, in September 2017.The 23 full papers presented were thoroughly reviewed and selected from 33 submissions. They cover the following topics: physical-chemical phenomena; biological systems; economy and society; complexity; optimization.

Essentials of Computational Chemistry provides a balanced introduction to this dynamic subject. Suitable for both experimentalists and theorists, a wide range of samples and applications are included drawn from all key areas. The book carefully leads the reader thorough the necessary equations providing information explanations and reasoning where necessary and firmly placing each equation in context.

This monograph provides a mathematical foundation to the theory of quantum information and computation, with applications to various open systems including nano and bio systems.It includes introductory material on algorithm, functional analysis, probability theory, information theory, quantum mechanics and quantum field theory. Apart from standard material on quantum information like quantum algorithm and teleportation, the authors discuss findings on the theory of entropy in C*-dy...

First published in 2007, this second edition describes the computational methods used in theoretical physics. New sections were added to cover finite element methods and lattice Boltzmann simulation, density functional theory, quantum molecular dynamics, Monte Carlo simulation, and diagonalisation of one-dimensional quantum systems. It covers many different areas of physics research and different computational methodologies, including computational methods such as Monte Carlo and molecular...

This handbook and ready reference presents a combination of statistical, information-theoretic, and data analysis methods to meet the challenge of designing empirical models involving molecular descriptors within bioinformatics. The topics range from investigating information processing in chemical and biological networks to studying statistical and information-theoretic techniques for analyzing chemical structures to employing data analysis and machine learning techniques for QSAR/QSPR.

This book evolved from an interdisciplinary graduate course entitled 'Molecular Modeling' developed at New York University. Its primary goal is to stimulate excitement for molecular modeling research while providing grounding in the discipline. Scientists who wish to enter, or become familiar with, the field of biomolecular modeling and simulation may benefit from the broad coverage of problems and approaches.

This book is a self-contained, tutorial-based introduction to quantum information theory and quantum biology. It serves as a single-source reference to the topic for researchers in bioengineering, communications engineering, electrical engineering, applied mathematics, biology, computer science, and physics. The book provides all the essential principles of the quantum biological information theory required to describe the quantum information transfer from DNA to proteins, the sources of g...

Reaction Rate Theory and Rare Events bridges the historical gap between these subjects because the increasingly multidisciplinary nature of scientific research often requires an understanding of both reaction rate theory and the theory of other rare events. The book discusses collision theory, transition state theory, RRKM theory, catalysis, diffusion limited kinetics, mean first passage times, Kramers theory, Grote-Hynes theory, transition path theory, non-adiabatic reactions, electron tr...

Spin glasses are disordered magnetic systems that have led to the development of mathematical tools with an array of real-world applications, from airline scheduling to neural networks. Spin Glasses and Complexity offers the most concise, engaging, and accessible introduction to the subject, fully explaining what spin glasses are, why they are important, and how they are opening up new ways of thinking about complexity.This one-of-a-kind guide to spin glasses begins by exp...