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@BOOK{Blgel:151915,
key = {151915},
editor = {Blügel, Stefan and Helbig, Nicole and Meden, Volker and
Wortmann, Daniel},
title = {{C}omputing {S}olids: {M}odels, ab-initio methods and
supercomputing},
volume = {74},
address = {Jülich},
publisher = {Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag},
reportid = {FZJ-2014-01759},
isbn = {978-3-89336-912-6},
series = {Schriften des Forschungszentrums Jülich. Reihe
Schlüsseltechnologien / Key Technologies},
pages = {getr. Zählung},
year = {2014},
note = {The Spring School was organized by the Institute for
Advanced Simulationand the Peter Grünberg Institute of the
Forschungszentrum Jülich},
abstract = {The computation of solids is challenged by the mutual
interaction of its constituting elements, the myriad
electrons and ions. The complex interplay produces a
continuous stream of new and unexpected phenomena and forms
of matter. The extreme range of length, time, energy and
entropy scales established in the solid state give rise to a
broad range of materials and associated properties. Some
solids exhibit useful collective phenomena, such as
ferroelectricity, magnetism, superconductivity, in others
exotic states of matter such as the heavy fermion state are
taken on. Varying external parameters such as the pressure
or the doping it is even possible to switch between
different ordered phases. Certain classes of solids show
interesting metal to insulator transitions or display
transversal, quantum and non-equilibrium transport
processes, to mention a few of the ubiquitous emergent
phenomena. New exotic phases or quantum states may occur for
solids in low dimensions or at the nano- and mesoscopic
scales. There are literally hundreds of thousands of solids
with mostly unexplored properties. Every day, new solids or
solid-state systems are synthesised or grown and novel
properties are discovered. These solids find applications as
present and emergent materials with specially-designed
functionalities on which scientific advances in neighbouring
disciplines such as metallurgy, materials science,
nano-science, chemistry and biology as well as the
geo-science rests on. Downstream applications can be found
in information technology, green energy, transportation and
health, all of enormous benefits to our society. Even to
physicists trained in the reductionistic view on nature it
sometimes appears to be a miracle that the formation and
stability of all solids and their wealth of properties are
encoded in the statistical physics and quantum theory of the
many electrons in the solid interacting via the Coulomb
potential. It is the Schrödinger equation of many electrons
which provides the fundamental theoretical concept for the
understanding of the large variety of emerging quantum
phenomena and processes that could be exploited in future
technological devices. The exact analytical or numerical
solution of such a Schrödinger equation for a solid is not
in sight. Instead, since the formulation of the quantum
mechanical many-body problem it remains a challenge to
capture the properties of interacting electrons of complex
atomic systems like e.g. a crystalline solid by approximate
practical methods or effective models with reasonable
computational effort. In the past decades powerful
theoretical concepts and reliable and predictive
computational models have been developed that allow
effective approximations. They aim at reducing complexity
while retaining those ingredients necessary for a reliable
description of the physical effects of the system. The
underlying approximations made may be roughly divided into
three different classes: realistic model Hamiltonians, that
are solved in part with sophisticated and highly specialised
analytical or numerical quantum many-body methods such as
renormalization group based techniques or quantum Monte
Carlo, wave function based methods and ab initio density
functional approaches. Computing solids refers to the
application of these computational models to the study and
prediction of the physical behaviour of solids. It
represents an extension of theoretical physics that is based
on mathematical models. The concept of computing solids can
be used to predict new phenomena, to explore the validity of
new concepts, to design new experiments in order to test
these new concepts or simply to generate insight. It can be
applied to complement and analyse experiments. It provides a
powerful alternative to the techniques of experimental
science when phenomena are difficult to observe or not
observable with currently available techniques or when
measurements are difficult, dangerous, expensive or simply
impractical. It can be [...]},
month = {Mar},
date = {2014-03-10},
organization = {45 th IFF Spring School 2014, Jülich
(Germany), 10 Mar 2014 - 21 Mar 2014},
cin = {IAS-1 / PGI-1},
cid = {I:(DE-Juel1)IAS-1-20090406 / I:(DE-Juel1)PGI-1-20110106},
pnm = {424 - Exploratory materials and phenomena (POF2-424)},
pid = {G:(DE-HGF)POF2-424},
typ = {PUB:(DE-HGF)3 / PUB:(DE-HGF)26},
url = {https://juser.fz-juelich.de/record/151915},
}