Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

QUANTUM ESPRESSO is an integrated suite of computer codes for electronic-structure calculations and materials modeling, based on density-functional theory, plane waves, and pseudopotentials (norm-conserving, ultrasoft, and projector-augmented wave). The acronym ESPRESSO stands for opEn Source Package for Research in Electronic Structure, Simulation, and Optimization. It is freely available to researchers around the world under the terms of the GNU General Public License. QUANTUM ESPRESSO builds upon newly-restructured electronic-structure codes that have been developed and tested by some of the original authors of novel electronic-structure algorithms and applied in the last twenty years by some of the leading materials modeling groups worldwide. Innovation and efficiency are still its main focus, with special attention paid to massively parallel architectures, and a great effort being devoted to user friendliness. QUANTUM ESPRESSO is evolving towards a distribution of independent and interoperable codes in the spirit of an open-source project, where researchers active in the field of electronic-structure calculations are encouraged to participate in the project by contributing their own codes or by implementing their own ideas into existing codes.

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QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

Part I. Fundamental Concepts: 1. Introduction and overview 2. Introduction to quantum mechanics 3. Introduction to computer science Part II. Quantum Computation: 4. Quantum circuits 5. The quantum Fourier transform and its application 6. Quantum search algorithms 7. Quantum computers: physical realization Part III. Quantum Information: 8. Quantum noise and quantum operations 9. Distance measures for quantum information 10. Quantum error-correction 11. Entropy and information 12. Quantum information theory Appendices References Index.

Quantum Computation and Quantum Information

6.2.2. Definition of Effective Properties 3064 6.3. Response Properties to Magnetic Fields 3066 6.3.1. Nuclear Shielding 3066 6.3.2. Indirect Spin−Spin Coupling 3067 6.3.3. EPR Parameters 3068 6.4. Properties of Chiral Systems 3069 6.4.1. Electronic Circular Dichroism (ECD) 3069 6.4.2. Optical Rotation (OR) 3069 6.4.3. VCD and VROA 3070 7. Continuum and Discrete Models 3071 7.1. Continuum Methods within MD and MC Simulations 3072

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Quantum mechanical continuum solvation models.

A digital computer is generally believed to be an efficient universal computing device; that is, it is believed able to simulate any physical computing device with an increase in computation time by at most a polynomial factor. This may not be true when quantum mechanics is taken into consideration. This paper considers factoring integers and finding discrete logarithms, two problems which are generally thought to be hard on a classical computer and which have been used as the basis of several proposed cryptosystems. Efficient randomized algorithms are given for these two problems on a hypothetical quantum computer. These algorithms take a number of steps polynomial in the input size, e.g., the number of digits of the integer to be factored.

Polynomial-Time Algorithms for Prime Factorization and Discrete Logarithms on a Quantum Computer

New Textbooks for the "New" Mathematics

BOOK REVIEW: Feynman Lectures on Gravitation

An extraordinary volume of never-before-published letters written by one of America's most beloved scientists Richard P. Feynman, brilliant physicist and beloved teacher, is an iconic figure in the world of science. Born in 1918, Feynman received his Ph.D. from Princeton in 1942 and went on to win the Nobel Prize in physics in 1965 for his research in quantum electrodynamics. Besides his work as a physicist, Feynman was at various times an artist, dancer, bongo player, and lock picker. While there have been many books celebrating his myriad scientific achievements and personal eccentricities, his personal correspondence has remained largely hidden from view. Now, for the first time, we have the privilege of reading his wonderful letters to students, long-lost relatives, former lovers, crackpots, colleagues, and die-hard fans. From his early love letters to his first wife Arline, who died of tuberculosis, to his decades-long attempt to resign from the National Academy of Sciences, Feynman shares his views on feminism, fatherhood and everything in between. These letters, which span a full half-century, tell the story of a marvellous and inventive life, and reveal the pathos and wisdom of a man many felt close to but few really knew. By turns abrasive and charming, intimate and inspiring, we see the many sides of Richard Feynman, and treasure him all the more.

Perfectly Reasonable Deviations from the Beaten Track: The Letters of Richard P. Feynman

The great theoretical physicist and Nobel Prize winnder, Richard Feynman, left an indelible imprint on scientific thought. On 14 March 1964 he delivered a remarkable lecture which, until now, was believed to be lost. His lecture was about a single fact, though by no means a small one. When a planet or a comet or any other body arcs through space under the influence of gravity, it traces out one of a very special set of mathematical curves, known as the conic sections. But why does nature choose to describe those, and only those, elegant geometrical constructions ? In this book Feynman's lost lecture has been reconstructed and explained in meticulous, accessible detail, together with a history of ideas of the planets' motions. It can be enjoyed by the specialist and nonspecialist alike and provides us all with an invaluable insight into the mind of one of this century's greatest scientists.

Feynman's Lost Lecture: The Motion of Planets Around the Sun

Eagerly awaited by scientists and academics worldwide, the first of the complete recordings of Feynman's famous Lectures on Physics , now on CD Basic Books is proud to announce the first volumes of the complete audio CD collection of the recorded lectures delivered by the late Richard P Feynman, lectures originally delivered to his physics students at Caltech and later fashioned by the author into his classic textbook Lectures on Physics  Ranging from the most basic principles of Newtonian physics to such formidable theories as Einstein's general relativity, superconductivity, and quantum mechanics, Fenyman's lectures stand as a monument of clear exposition and deep insight

Richard Phillips Feynman

Papers

New Textbooks for the "New" Mathematics

BOOK REVIEW: Feynman Lectures on Gravitation

Perfectly Reasonable Deviations from the Beaten Track: The Letters of Richard P. Feynman

Feynman's Lost Lecture: The Motion of Planets Around the Sun

Symmetry in Physical Laws