Modelling Complexes For Natural And Artificial Photosynthesis By Quantum Mechanics Simulations
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| Author | : Reza Razeghifard |
| Publisher | : John Wiley & Sons |
| Total Pages | : 372 |
| Release | : 2013-08-23 |
| Genre | : Science |
| ISBN | : 1118659759 |
This technical book explores current and future applications of solar power as an unlimited source of energy that earth receives every day. Photosynthetic organisms have learned to utilize this abundant source of energy by converting it into high-energy biochemical compounds. Inspired by the efficient conversion of solar energy into an electron flow, attempts have been made to construct artificial photosynthetic systems capable of establishing a charge separation state for generating electricity or driving chemical reactions. Another important aspect of photosynthesis is the CO2 fixation and the production of high energy compounds. Photosynthesis can produce biomass using solar energy while reducing the CO2 level in air. Biomass can be converted into biofuels such as biodiesel and bioethanol. Under certain conditions, photosynthetic organisms can also produce hydrogen gas which is one of the cleanest sources of energy.
| Author | : Roman Joswik |
| Publisher | : CRC Press |
| Total Pages | : 303 |
| Release | : 2014-09-19 |
| Genre | : Medical |
| ISBN | : 1482246619 |
This important volume highlights the latest developments and trends in chemistry, biochemistry, and biology. It presents the developments of advanced materials and respective tools to characterize and predict the material properties and behavior. The book provides original, theoretical, and important experimental results that use non-routine method
| Author | : Simone Taioli |
| Publisher | : Frontiers Media SA |
| Total Pages | : 93 |
| Release | : 2016-01-22 |
| Genre | : Engineering (General). Civil engineering (General) |
| ISBN | : 2889197557 |
Atomistic simulations, based on ab-initio and semi-empirical approaches, are nowadays widespread in many areas of physics, chemistry and, more recently, biology. Improved algorithms and increased computational power widened the areas of application of these computational methods to extended materials of technological interest, in particular allowing unprecedented access to the first-principles investigation of their electronic, optical, thermodynamical and mechanical properties, even where experiments are not available. However, for a big impact on the society, this rapidly growing field of computational approaches to materials science has to face the unfavourable scaling with the system size, and to beat the time-scale bottleneck. Indeed, many phenomena, such as crystal growth or protein folding for example, occur in a space/time scale which is normally out of reach of present simulations. Multi-scale approaches try to combine different scale algorithms along with matching procedures in order to bridge the gap between first-principles and continuum-level simulations. This Research Topic aims at the description of recent advances and applications in these two emerging fields of ab-inito and multi-scale materials modelling for both ground and excited states. A variety of theoretical and computational techniques are included along with the application of these methods to systems at increasing level of complexity, from nano to micro. Crossing the borders between several computational, theoretical and experimental techniques, this Research Topic aims to be of interest to a broad community, including experimental and theoretical physicists, chemists and engineers interested in materials research in a broad sense.
| Author | : Roberta Croce |
| Publisher | : CRC Press |
| Total Pages | : 778 |
| Release | : 2018-01-12 |
| Genre | : Science |
| ISBN | : 1351242873 |
This landmark collective work introduces the physical, chemical, and biological principles underlying photosynthesis: light absorption, excitation energy transfer, and charge separation. It begins with an introduction to properties of various pigments, and the pigment proteins in plant, algae, and bacterial systems. It addresses the underlying physics of light harvesting and key spectroscopic methods, including data analysis. It discusses assembly of the natural system, its energy transfer properties, and regulatory mechanisms. It also addresses light-harvesting in artificial systems and the impact of photosynthesis on our environment. The chapter authors are amongst the field’s world recognized experts. Chapters are divided into five main parts, the first focused on pigments, their properties and biosynthesis, and the second section looking at photosynthetic proteins, including light harvesting in higher plants, algae, cyanobacteria, and green bacteria. The third part turns to energy transfer and electron transport, discussing modeling approaches, quantum aspects, photoinduced electron transfer, and redox potential modulation, followed by a section on experimental spectroscopy in light harvesting research. The concluding final section includes chapters on artificial photosynthesis, with topics such as use of cyanobacteria and algae for sustainable energy production. Robert Croce is Head of the Biophysics Group and full professor in biophysics of photosynthesis/energy at Vrije Universiteit, Amsterdam. Rienk van Grondelle is full professor at Vrije Universiteit, Amsterdam. Herbert van Amerongen is full professor of biophysics in the Department of Agrotechnology and Food Sciences at Wageningen University, where he is also director of the MicroSpectroscopy Research Facility. Ivo van Stokkum is associate professor in the Department of Physics and Astronomy, Faculty of Sciences, at Vrije Universiteit, Amsterdam.
| Author | : Masoud Mohseni |
| Publisher | : Cambridge University Press |
| Total Pages | : 421 |
| Release | : 2014-08-07 |
| Genre | : Science |
| ISBN | : 1107010802 |
Explores the role of quantum mechanics in biology for advanced undergraduate and graduate students in physics, biology and chemistry.
| Author | : Herbert van Amerongen |
| Publisher | : World Scientific |
| Total Pages | : 612 |
| Release | : 2000 |
| Genre | : Science |
| ISBN | : 9789810232801 |
Excitons are considered as the basic concept used by describing the spectral properties of photosynthetic pigment-protein complexes and excitation dynamics in photosynthetic light-harvesting antenna and reaction centers. Following the recently obtained structures of a variety of photosynthetic pigment-protein complexes from plants and bacteria our interest in understanding the relation between structure, function and spectroscopy has strongly increased. These data demonstrate a short interpigment distance (of the order of 1 nm or even smaller) and/or a highly symmetric (ring-like) arrangement of pigment molecules in peripheral light-harvesting complexes of photosynthetic bacteria. Books which were devoted to the exciton problem so far mainly considered the spectral properties of molecular crystals. However, the small size of these pigment aggregates in the pigment-protein complexes as well as the role of the protein, which is responsible for the structural arrangement of the complex, clearly will have a dramatic influence on the pigment spectra and exciton dynamics. All these aspects of the problem are considered in this book. Exciton theory is mainly considered for small molecular aggregates (dimers, ring-like structures etc.). Together with the theoretical description of the classical conceptual approach, which mainly deals with polarization properties of the absorption and fluorescence spectra, the nonlinear femtosecond spectroscopy which is widely used for investigations now is also discussed. A large part of the book demonstrates the excitonic effects in a multitude of photosynthetic pigment-protein complexes and how we can understand these properties on the basis of the exciton concept.
| Author | : Derek Abbott |
| Publisher | : World Scientific |
| Total Pages | : 469 |
| Release | : 2008 |
| Genre | : Science |
| ISBN | : 1848162677 |
A quantum origin of life? -- Quantum mechanics and emergence -- Quantum coherence and the search for the first replicator -- Ultrafast quantum dynamics in photosynthesis -- Modelling quantum decoherence in biomolecules -- Molecular evolution -- Memory depends on the cytoskeleton, but is it quantum? -- Quantum metabolism and allometric scaling relations in biology -- Spectroscopy of the genetic code -- Towards understanding the origin of genetic languages -- Can arbitrary quantum systems undergo self-replication? -- A semi-quantum version of the game of life -- Evolutionary stability in quantum games -- Quantum transmemetic intelligence -- Dreams versus reality : plenary debate session on quantum computing -- Plenary debate: quantum effects in biology : trivial or not? -- Nontrivial quantum effects in biology : a skeptical physicists' view -- That's life! : the geometry of p electron clouds.
| Author | : Pavlo O. Dral |
| Publisher | : Elsevier |
| Total Pages | : 702 |
| Release | : 2022-09-16 |
| Genre | : Science |
| ISBN | : 0323886043 |
Quantum chemistry is simulating atomistic systems according to the laws of quantum mechanics, and such simulations are essential for our understanding of the world and for technological progress. Machine learning revolutionizes quantum chemistry by increasing simulation speed and accuracy and obtaining new insights. However, for nonspecialists, learning about this vast field is a formidable challenge. Quantum Chemistry in the Age of Machine Learning covers this exciting field in detail, ranging from basic concepts to comprehensive methodological details to providing detailed codes and hands-on tutorials. Such an approach helps readers get a quick overview of existing techniques and provides an opportunity to learn the intricacies and inner workings of state-of-the-art methods. The book describes the underlying concepts of machine learning and quantum chemistry, machine learning potentials and learning of other quantum chemical properties, machine learning-improved quantum chemical methods, analysis of Big Data from simulations, and materials design with machine learning. Drawing on the expertise of a team of specialist contributors, this book serves as a valuable guide for both aspiring beginners and specialists in this exciting field. - Compiles advances of machine learning in quantum chemistry across different areas into a single resource - Provides insights into the underlying concepts of machine learning techniques that are relevant to quantum chemistry - Describes, in detail, the current state-of-the-art machine learning-based methods in quantum chemistry
| Author | : |
| Publisher | : |
| Total Pages | : 928 |
| Release | : 1991 |
| Genre | : Power resources |
| ISBN | : |
| Author | : Rudolf K. Allemann |
| Publisher | : Royal Society of Chemistry |
| Total Pages | : 412 |
| Release | : 2009 |
| Genre | : Science |
| ISBN | : 0854041222 |
In recent years, there has been an explosion in knowledge and research associated with the field of enzyme catalysis and H-tunneling. Rich in its breath and depth, this introduction to modern theories and methods of study is suitable for experienced researchers those new to the subject. Edited by two leading experts, and bringing together the foremost practitioners in the field, this up-to-date account of a rapidly developing field sits at the interface between biology, chemistry and physics. It covers computational, kinetic and structural analysis of tunnelling and the synergy in combining these methods (with a major focus on H-tunneling reactions in enzyme systems). The book starts with a brief overview of proton and electron transfer history by Nobel Laureate, Rudolph A. Marcus. The reader is then guided through chapters covering almost every aspect of reactions in enzyme catalysis ranging from descriptions of the relevant quantum theory and quantum/classical theoretical methodology to the description of experimental results. The theoretical interpretation of these large systems includes both quantum mechanical and statistical mechanical computations, as well as simple more approximate models. Most of the chapters focus on enzymatic catalysis of hydride, proton and H" transfer, an example of the latter being proton coupled electron transfer. There is also a chapter on electron transfer in proteins. This is timely since the theoretical framework developed fifty years ago for treating electron transfers has now been adapted to H-transfers and electron transfers in proteins. Accessible in style, this book is suitable for a wide audience but will be particularly useful to advanced level undergraduates, postgraduates and early postdoctoral workers.
