A great deal of interesting science was presented and discussed at the meeting, and much of this is summarized in the scientific report further down this page. I think it’s now clear to most people that the quantum Monte Carlo method is continuing to grow in utility and importance, and for those with a big enough computer it self-evidently ought to be the method of choice for highly accurate benchmark quantum-mechanical calculations of molecules and materials — certainly those with more than a few atoms.
In the U.K. and other countries there is an increasing pressure for funding agencies to demonstrate the social and/or economic benefits of the research they sponsor. Two recent attached reports that were initiated by Mike Payne and produced by Goldbeck Consulting for the UK-JCMaxwell CECAM node address this issue. Continue reading Industrial Impact
Two silicon-vacancy centers in diamond can emit photons that are indistinguishable—suggesting they have potential as building blocks for a diamond-based quantum computer. [link]
“The effect of electron correlation on the electronic structure and spin lattice coupling of the high-Tc cuprates: quantum Monte Carlo calculations” by Lucas K. Wagner and Peter Abbamonte [link]
Really interesting that people are doing high Tc cuprates with QMC now.. things have come a long way since Ceperley and Alder..
The study of the electronic structure of materials is at a momentous stage, with the emergence of computational methods and theoretical approaches. Many properties of materials can now be determined directly from the fundamental equations for the electrons, providing insights into critical problems in physics, chemistry, and materials science. This book provides a unified exposition of the basic theory and methods of electronic structure, together with instructive examples of practical computational methods and real-world applications. Appropriate for both graduate students and practising scientists, this book describes the approach most widely used today, density functional theory, with emphasis upon understanding the ideas, practical methods and limitations. Many references are provided to original papers, pertinent reviews, and widely available books. Included in each chapter is a short list of the most relevant references and a set of exercises that reveal salient points and challenge the reader.
Listen to Barber’s Adagio for strings here.
This new Psi-k web site is dedicated to Walter Temmerman (1950-2014) who, with his wife Zdzislawa Szotek, was one of the key figures involved in the conception, foundation, and success of Psi-k in Europe.
I have a strong suspicion that, precisely because of the problems we have just been discussing, your theory will one day get you into hot water. When it comes to observation, you behave as if everything can be left as it was, that is, as if you could use the old descriptive language.
Probably best to let DMC win here.. [link]