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

No twentieth-century American scientist is better known to a wider spectrum of people than Richard P Feynman (19181988)physicist, teacher, author, and cultural icon His autobiographies and biographies have been read and enjoyed by millions of readers around the world, while his wit and eccentricities have made him the subject of TV specials and even a theatrical film The spectacular reception of the book and audio versions of Feynmans Six Easy Pieces (published in 1995) resulted in a worldwide clamor for More Feynman! More Feynman! The outcome is these six additional lectures, drawn from the celebrated three-volume Lectures on Physics Though slightly more challenging than the first six, these lectures are more focused, delving into the most revolutionary discovery in twentieth-century physics: Einsteins Theory of Relativity No single breakthrough in twentieth-century physics (with the possible exception of quantum mechanics) changed our view of the world more than that of Einsteins discovery of relativity The notions that the flow of time is not a constant, that the mass of an object depends on its velocity, and that the speed of light is a constant no matter what the motion of the observer, at first seemed shocking to scientists and laymen alike But, as Feynman shows so clearly and so entertainingly in the lectures chosen for this volume, these crazy notions are no mere dry principles of physics, but are things of beauty and elegance No onenot even Einstein himselfexplained these difficult, anti-intuitive concepts more clearly, or with more verve and gusto, than Richard Feynman

Six Not-So-Easy Pieces: Einstein's Relativity, Symmetry, and Space-Time

All but one of the multiple ferromagnetic resonances observed by White and Solt in a sphere are shown to correspond to modes in which the oscillating part of the magnetization is independent of r (the only case ordinarily considered) or varies linearly with r in the sample.

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Physical Conditions for Ferromagnetic Resonance

From time to time, people suggest to me that scientists ought to give more consideration to social problems -especially that they should be more responsible in considering the impact of science upon society. This same suggestion must be made to many other scientists, and it seems to be generally believed that if the scientists would only look at these very difficult social problems and not spend so much time fooling with the less vital scientific ones, great success would come of it.

http://users.rowan.edu/~merrill/ValueOfScience.pdf

The Value of Science

Eagerly awaited by scientists and students worldwide, Feynman's landmark "Lectures on Physics" at last on compact disk. "Basic Books" is proud to announce the next two 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 the California Institute of Technology, and later fashioned by the author into his classic textbook "Lectures on Physics". Ranging from the most basic principles of Newtonian physics through such formidable theories as Einstein's general relativity, superconductivity and quantum mechanics, "Feynman's 111 lectures" stand as a monument of clear exposition and deep insight.

The theory of gravitation

With a unique combination of dazzling intellect and touching simplicity, Feynman had a passion for physics that was merely the Nobel Prize-winning part of an immense love of life and everything it could offer. He was hugely irreverent and always completely honest-with himself, with his colleagues, and with nature. No Ordinary Genius traces Feynman's remarkable adventures inside and outside science, in words and more than one-hundred photographs, many of them supplied by his family and close friends. The words are often his own and those of family, friends, and colleagues such as his sister, Joan Feynman; his children, Carl and Michelle; Freeman Dyson; Hans Bethe; Daniel Hillis; Marvin Minsky; and John Archibald Wheeler. The book gives vivid insight into the mind of a great creative scientist at work and at play, and it challenges the popular myth of the scientist as a cold reductionist dedicated to stripping romance and mystery from the natural world. Feynman's wonderfully infectious enthusiasm shines through in his photographs and in his tales.

Richard Phillips Feynman

Papers

Six Not-So-Easy Pieces: Einstein's Relativity, Symmetry, and Space-Time

Physical Conditions for Ferromagnetic Resonance

The Value of Science

The theory of gravitation

No Ordinary Genius: The Illustrated Richard Feynman