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International Journal of Mathematics and Computational Methods in Science & Technology,

Vol. 1, No.6, 2011


A Quantum Algebraic Topology Framework for
Multiscale Quantum Computations

Ion C. Baianu
1
, Ronald Brown
2
& James F. Glazebrook
3


1
FSHN and NPRE Departments, University of Illinois at Urbana-Champaign,
AFC-NMR & FT-NIR Microspectroscopy Facility, Urbana IL 61801, USA

2
School of Computer Science, University of Bangor, Dean Street, Bangor, Gwyned LL57 1UT, UK
3
Department of Mathematics and Computer Science, Eastern Illinois University,
600 Lincoln Avenue, Charleston, IL 61920, USA, and

Adjunct Faculty, Department of Mathematics, University of Illinois at Urbana-Champaign,
1409 West Green Street, Urbana, IL 61801, USA
Email:
1
ibaianu@illinois.edu,
2
ronnie.profbrown@btinternet.com,
3
jfglazebrook@eiu.edu

Abstract

A Quantum Algebraic Topology framework is proposed for multiscale quantum computations of
systems with either simple or mixed, complex symmetries such as liquid crystals, membranes, mixed
phases, topological ordering in condensed phases, metallic glasses, quantum dot devices,
quasicrystals and paracrystals.


Keywords: extended quantum symmetry and topological ordering, quantum groupoid and quantum
algebroid representations for multiscale quantum computations, quantum dot nanoparticle
paracrystals and noncrystalline solids with ferromagnetic or spin-wave properties.

1. Introduction

In two recent reports [1,2] a novel approach was introduced to extended quantum symmetry,
paracrystals, quasicrystals, noncrystalline solids, topological order, supersymmetry and
spontaneous, global symmetry breaking. Our approach was formulated in terms of quantum
groupoid, quantum double groupoid and their dual quantum algebroid structures. Our previous
results and methodology reported in [1,2] are here extended to a Quantum Algebraic Topology (QAT)
framework suitable for developing multiscale quantum computations of various systems of substantial
technological interest, on scales ranging from nanoparticles and quantum dots to liquid crystals,
macroscopic quasicrystals and noncrystalline materials such as metallic glasses and mictomagnets [2].
An outline of Quantum Algebraic Topology is available in a recent monograph [3] and an entry-level
textbook [4]. However, the extension of this QAT framework to multiscale quantum computations has
not yet been reported, although several approaches focused on quantum computing [5] or specific
quantum Hamiltonian-based computations for multiscale problems have already been published [6-8].
Therefore, the latter quantum computations have not taken advantage of the unified QAT approach to
simplify quantum computations for a wide range of systems that possess either very complex
symmetries or a supersymmetry as in the case of Quantum Gravity theories and quantum spacetime
representations [3,9]. Then, such applications were shown to also include quantum fields theories, and
local quantum net configurations that are endowed with either partially disordered or `completely'
ordered structures, as well as in the graded, or super-algebroid extended form of these concepts for the
treatment of very massive structures such as stars and black holes that are considered in quantum
gravity theories.
Symmetry groups have been the mainstay of Euclidean structures considered in computations
for classical dynamical systems, relativity, particle physics, and so on, where single, direct
transformations are usually sufficient for efficient computation. Extending such simple
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symmetry concepts, one looks towards the more abstract but necessary structures at multiscale
levels, such as `paragroups' or `symmetry groupoids' [2,5] that can also encode many of the
ubiquitous `quantum groups' into the architecture of a C*-Hopf algebra [1]. As a specific
example of this novel approach, a classical Lie algebra now evolves to a ` Lie (bi)algebroid' that
captures certain higher order symmetries, and also supersymmetry when graded Lie algebras are
included [9]. Then, the convolution algebra of the transition groupoid of a bounded quantum
system--which is related to its absorption and emission spectra--is however just a matrix
algebra, which is viewed as part of a groupoid representation [10-15]. The quantum operator
algebra for various quantum systems then required also the introduction of: C*-algebras, Hopf
algebras/quantum groups, Clifford algebras, graded algebras or superalgebras, weak-Hopf
algebras, quantum doubles, 6j-symbols, Lie 2-algebras, Lie-2 groups, Lie 3-superalgebras [10],
and so on. Dynamic systems could be locally expressed in terms of symmetry representations of
a Lie algebroid, or globally in terms of a special Lie (or Lie - Weinstein) symmetry groupoid
representations that can also take into account the spin exchange interactions between centers
exhibiting quantum dynamic effects, such as the dynamic Jahn -Teller effect in either solids or
fluids. The current, rapid expansion of the various types of `quantum algebras' suggests the need
for a Quantum Algebraic Tolpogy approach to multiscale quantum computations which is
steadily moving towards the framework of higher-dimensional algebra (HDA) and the related,
higher categorical, non-Abelian structures underlying quantum field and higher gauge theories.
A recent survey of the basic mathematical approach of HDA that included several examples of
physical applications can be found in a monograph [1], which is complemented by an
introductory textbook on Quantum Algebraic Topology, Quantum Algebra and Symmetry [4].
The fundamental, underlying non-Abelian Algebraic Topology (NAAT) has also recently
become available in a comprehensive mathematics textbook by Brown et al. [16].

2. Convolution Algebra of Functions, Convolution Product of Groupoids and the
Paracrystal Theory: Further Generalizations of Fourier Transforms and
Harmonic Analysis

2.1. The Convolution Algebra in Paracrystalline Models

The general theory of scattering by partially ordered, atomic or molecular, structures in terms
of paracrystals and lattice convolutions was formulated by Hosemann and Bagchi in [17] using
basic techniques of Fourier analysis and convolution products. A paracrystal model may be
considered as a representation of a system that may include various levels of ordering and
particle size; it may include also a mixture of material nanoparticle clusters or microparticles
with different symmetries. The quasicrystals, such as Al
6
Mn or icosahedral Ho-Mg-Zn, may be
considered as simpler examples of paracrystals. Incorporating `spontaneous symmetry
breaking and associated phase transitions is another extension of the `classical paracrystal
model of Hosemann and Bagchi [17]. As shown previously in [1], the natural generalization of
such molecular, partial symmetries and their corresponding analytical versions involves
convolution algebras [1] -- a functional/distribution based theory that was then presented in [2]
in the context of a more general and original concept of a convolution-algebroid (CA) of an
extended symmetry groupoid of a paracrystal, of any molecular and nuclear system, or indeed,
of any quantum system, in general. Mutatis mutandis, one thus finds this concept to be
applicable to very complex, multiscale quantum computation problems in order to simplify the
solution of such problems based on certain, extended quatum symmetries present at multiple
scales in the specific system under consideration, be it either a quantum dot device for ultra -fast
computations and ultra-sensitive signal detection or a multi-phase system which is not solvable
by means of an ansatz, single Hamiltonian.



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2.2. Convolution product of groupoids and the convolution algebra of functions

The multiplication of the algebra of a discrete group (see e.g., [15]) is the fundamental convolution
product, which --for our purposes-- is conveniently written in a slightly different form from the
common formula as :

), ( ) ( = ) )( (
=
y g x f z g f
z xy

-
(1)

and --operation
. ) ( = ) (
1
x f x f


The form which is more often considered has a sum over the elements of a selected group instead of
the above, more general formulation, that can be also employed with groupoids. In the case of
topological groups, where the underlying vector space consists of continuous complex valued
functions, such a convolution product requires the availability of some structure of measure and/or
measurable functions, with the sum being usually replaced by an integral. Similar considerations, but
more complex in nature, do apply also to topological groupoids, and lead naturally to convolution
algebroids that are not restricted to a `single object. Such convolution products are also compatible
with functional transforms that are more general than Fourier transforms; an example is provided by
the Stieltjes-Fourier transform and its corresponding Fourier-Stieltjes algebra for locally compact
groupoids [19] that can be utilized in conjunction with measured (quantum) groupoids to represent the
symmetry of specific paracrystal models; moreover, when considering the Stieljes integral with respect
to a vector measure dg one can define a Riemann-Stieltjes integral. From a physical viewpoint such
Stieltjes transforms have the advantage of enabiling effective quantum computations for various,
multiscale quantum problems. Another useful example is the generalization of the Stieltjes-Fourier to
the Laplace-Stieltjes transform [20] that yields superior results for image reconstruction from noisy
data, and also in the analysis of noisy spectra without losing resolution. Even more general transforms
can be defined by integrating over a contour in the complex plane; the latter transforms are required
for the general paracrystal case that does not have a centrosymmetric structure. Somewhat
surprisingly, in spite of its superior results in image reconstruction the Laplace-Stieltjes transform has
not yet been widely exploited for either hyperspectral imaging, or bioimaging/medical imaging
applications where the signal-to-noise and spatial or spectral resolution are major considerations.

2.3. Group and Groupoid Representations

Group representations of quantum unitary operators are extensively employed in standard quantum
mechanics. This is, however, the first report of groupoid representation applications to multiscale
quantum computations. As an example, the description of stochastic quantum mechanics in curved
spacetime [21] involving a Hilbert bundle is possible in terms of such groupoid representations that are
defined on such a Hilbert bundle ) , *, ( t H X , but cannot be expressed as the simpler, group
representations on a quantum Hilbert space H . As in the case of group representations, unitary
groupoid representations do induce associated C*-algebra representations.
On the one hand, the example of paracrystals reveals thermodynamic disorder (entropy) within its
own spacetime framework, whereas in spacetime itself, an inhomogeneity arises through (super)
gravitational effects. In the case of paracrystals--as described above-- one has the technique of the
generalized Fourier--Stieltjes transform, along with convolution products of (topological) groupoids,
and also an associated Haar measure. On the other hand, one may compare the supersymmetry
predictions for weak gravitational fields, with with those for `spontaneously broken global
supersymmetry in the presence of intense gravitational fields, and find that they differ most
significantly.
In the next two sections we will recall some of the basic results concerning groupoid representations
and their associated groupoid *-algebra representations. Further details and also recent results of the
mathematical theory of groupoid representations were presented in two succint monographs [10,14]
(and relevant references cited therein).
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3. Groupoids and Extended Quantum Symmetry

A groupoid G is simply defined as a small category with inverses over its set of objects
) ( O = G b X . Then one writes
y
x
G for the set of morphisms in G from x to y.
A topological groupoid consists of a space G , a distinguished subspace G G G _ ) ( O =
(0)
b ,
called the space of objects of G, together with two maps:

r, s
: G

(0)
G

(2)

called the range and source maps respectively, together with a o law of composition :

, } ) ( = ) ( : ) , ( { = := :
2 1 2 1 (0)
(2)
G G G G G G
G
e r s (3)

which is subject to five conditions, or restrictions, as specified after formula (4) on p. 8 in ref. [2].
Moreover, for topological groupoids the inverse map needs to be continuous.
A topological groupoid can also be considered as a groupoid internal to the category of topological
spaces and continuous maps. This notion of internal groupoid has proved significant in a number of
fields because groupoids generalize bundles of groups, group actions, equivalence relations, and more.
Thus, the notions of internal and external groupoid symmetries [22] may bew considered as having a
direct bearing on quantum symmetries beyond that of quantum group symmetry. A few examples of
groupoids are:
- (a) locally compact groups, transformation groups, and any group in general;
- (b) Poisson groupoids;
- (c) graph groupoids.

In order to obtain the notion of extended quantum symmetry, or multiple quantum symmetries, such
as both an internal and an external symmetry of a quantum object- for example a quantum `particle,
one needs to define a quantum groupoid as a generalization of a quantum group. If a quantum group
would be defined via a Hopf algebra, its generalization would be then defined via a weak Hopf algebra
[1,23]. On the other hand, if the quantum group is defined as a locally compact group equipped with a
Haar measure system [1,2,11], its generalization to a quantum groupoid would be defined as a locally
compact groupoid with an associated measurable Hilbert bundle and at least one Haar measure system
as specified in [2,13].

4. Groupoid C*-convolution Algebras and Their Representations

The C*-algebra of a locally compact groupoid G
lc
was introduced by Jean Renault in [24] as
follows:
1. The space of continuous functions with compact support on a groupoid G is made into a
*-algebra whose multiplication is the convolution, and that is also endowed with the smallest
C*-norm which makes its representations continuous, as shown in ref. [24].
2. Moreover, for such a convolution to be properly defined, one also needs to have a Haar system
associated to the locally compact groupoid G
lc
, which is then called a measured groupoid because it is
endowed with an associated Haar system which involves the concept of measure, as introduced by P.
Hahn in [25,26].
The structure of the Haar systems on locally compact groupoids (suitable for defining quantum
groupoids and extended quantum symmetry) was reported in [29]. Renault also defined in [27] the
Fourier algebra of a measured groupoid. With these concepts one can now sum up the definition (or
construction) of either a groupoid C*-convolution algebra, or that of a groupoid C*-algebra [28],
as follows:
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A groupoid
*
C -convolution algebra,
CA
G , is defined for measured groupoids as a * -algebra,
with * being defined by convolution so that it has a smallest C* -norm which makes its
representations continuous. An alternative definition can also be introduced as a functorial
construction of
CA
G that has additional interesting properties; the latter construction proves to be even
more useful in the context of multiscale quantum computations. P. Hahn showed in [26] how
groupoid representations relate to induced *-algebra representations, and also how - under certain
specified conditions- the former can be derived from the appropriate *-algebra representations.

5. Lie Algebroids and the Integrability Problem for Multiscale Quantum
Computations

Lie algebra applications to solving quantum problems that involve only a finite number of degrees
of freedom have become standard. However, their applications to multiscale quantum computation are
rather limited. One possible approach to surpassing their limitations is their generalization to a Lie
algebroid. The latter can also be thought as a generalization of the idea of a tangent bundle where the
tangent space at a point is effectively the equivalence class of curves meeting at that point, thus
suggesting a groupoid approach, as well as serving as a site on which to study infinitesimal geometry.
Specifically, let M be a manifold and let _(M) denote the set of vector fields on M. Then, a Lie
algebroid over M consists of a vector bundle E M, equipped with a Lie bracket [ x , y ] on the space
of sections I (E), and a bundle map : E TM, called the anchor. Further, there is an induced map c:
I (E)_ (M) which is required to be a map of Lie algebras such that, given sections o,| in I (E)
and a differentiable function f, the following Leibniz rule is satisfied:

[o, f |] = f [o, |] + (o)| .

The problem of `integrability' of Lie algebroids can be traced all the way back to Lie's work on those
classes of algebras and groups which were to bear his name. When M is only a point, we recover the
usual definition of a Lie algebra, and Lie's Third Theorem says that this Lie algebra can be integrated
to a Lie group. More general results follow when the anchor map : E TM is constrained to satisfy
certain conditions. So one can see that the development of this subject has its roots in the possible
extension of Lie's three structure theorems to Lie algebroids (groupoids). We refer the reader to
Crainic and Fernandess report [31], and also to Mackenzies article [32] for a historical coverage of
the problem up to 1987. Next, let us consider a Lie groupoid G:
r, s
: G

(0)
G


with G(0) = M; then, there is an associated Lie algebroid A = A(G), which is here in the guise of a
vector bundle; this is the restriction to M of the bundle of tangent vectors along the fibers of s (with
the s being the vertical vector fields). Also, the space of sections I (A) can be indentified with the
space of s--vertical, rightinvariant vector fields _
s
inv
(G) which can be seen to be closed under [ , ];
the latter induces a bracket operation on I (A) , thus turning A into a Lie algebroid. Subsequently, a Lie
algebroid A is integrable if there exists a Lie groupoid G inducing A.
Then, what are the computable obstructions to the (local) integrability of Lie algebroids?
This, and other, questions have been answered by Crainic and Fernandes in [31]. Moreover, when
attempting to apply the concept of a Lie algebroid to Quantum Field Theory (QFT), and especially to
Quantum Electrodynamics (QED) one finds this concept to be insufficient to completely represent, for
example, gauge theories. Therefore, the generalized concepts of Lie 2-group, Lie 2-algebra and 2-
bundle were considered in the context of Yang-Mills actions and quantum Yang-Mills equations [2]
(and other previous references cited therein). Furthermore, more complete solutions involves the novel
concept of quantum algebroid introduced in [1], and also utilized in [2].


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6. Potential Multiscale Applications of the QAT Framework

As suggested in [8], the high level of complexity and volume of numerical processing involved in
many multiscale quantum simulations required by current Hamiltonian-based approaches and their
extensions to Nano- Science research and related Nanotechnology developments require petascale
computing on the NSF-funded TeraGrid. In strongly correlated electron systems, it was shown to be
possible to extend quantum cluster methods that were specifically developed for such systems to
multiscale quantum computations [6,7]. Such systems possess a certain degree of quantum symmetry,
as well as partial structural and dynamic disorder characteristic, in general, of paracrystalline systems.
Through suitable generalizations of Fourier transforms that were discussed in Sections 2.2, 4 and 5,
as well as by employing the QAT concepts of convolution product of (topological) groupoids and
groupoid C*-convolution algebra, it has become possible to approach not only structural multiscale
quantum computation problems but also very complex dynamical simulations of a wide range of highly
complex, multiscale quantum systems. Multiscale quantum computations based on extended quantum
symmetry are carried out via quantum groupoid and algebroid representations in terms of standard
matrices as well as super-matrices.; the implicit assumptions being made for quantum groupoids are
that they are measurable (or measured) [11, 25-27] , and that it is possible to define an associated Haar
measure [13] for such physically interesting groupoids. Other interesting multiscale quantum
computations can also be considered within this novel QAT framework for universal quantum
automata and the assembly of quantum computers and quantum dots into larger scale devices based on
a wide selection of available extended quantum symmetries and generalized (discrete or integral, and
usually complex) transforms.

6.1. Quasiparticle and Collective Modes in Nanosystems.

Quantum nanosystems (QN), such as superconducting nanodevices, superfluid nano-droplets and
quantum dots often involve several distinct characteristic lengths in a wide range of scales [33]. Thus,
such characteristic lengths may vary widely from the average nearest-neighbor distance between either
bosons or fermions to various cluster sizes as in buckyballs, and to the full extent of the QNs. Even
more generally, quasiparticles consisting for example of groups of fermions or bosons emerge with
higher effective mass than that of the constituent particles as a result of strong interactions through
various couplings, including even the weaker magnetic dipole interactions between nuclear spins in
solids with local groups such as: ethyl, methyl, H
3,
--CF
3
, benzene, alkyl chains, and so on. On larger
scales, long-range interactions result in the appearance of collective modes, such as the spin wave
excitations that will be discussed in the next subsection. Because of the presence of both quasiparticle
and collective modes in nanosystems at their distinct characteristic lengths, the multiscale QAT
framework provides several new and powerful approaches that can simplify and facilitate more
powerful QN computer simulations than the multiscale perturbation analysis [33] and other
approximation schemes currently employed in multiscale quantum computations for QNs.

6.2. Multiscale Quantum Criticality: Ferromagnets and Spin-Wave Resonance
Excitations in Metallic Glasses. Towards Topological Quantum Computers.

Topological insulator order and local order resulting from spontaneous symmetry breaking such as
magnetism and superconductivity are classified into different spatial dimensions, such as 2D and 3D. A
ferromagnetic quantum criticality was reported in the surface of 3D topological insulators including a
disordered phase [34]; criticality is however observed in a much wider range of systems [35, 36] than
topological insulators. A multiscale quantum critical point was detected that included both
longitudinal spin fluctuations with a dynamical critical exponent z = 3 and transverse modes given by z
= 2 [37]. Such considerations led also to an effective Lagrangian at the critical point and an effective
field theory of ferromagnetic criticality in the surface of topological insulators involving both an
electron fields in the Nambu-spinor representation and a spin excitation | = |
x
x + |
y
y. Such an
effective field theory is realized when an insulating ferromagnet lies on the surface of
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topological insulators, in which case the ferromagnetic spin fluctuations |
i
are those occurring in the
insulating ferromagnet. A similar case is that of ferromagnetism induced by doped magnetic impurities
where it can be shown that the Ruderman-Kittel-Kasuya-Yosida interactions between doped
magnetic impurities are ferromagnetic. Doped magnetic atoms are coupled via such an exchange
mechanism thus forming a ferromagnetically ordered film deposited uniformly on the surface of a
topological insulator. Moreover, the transition to ferromagnetism can be controlled by the spacing of
the doped magnetic impurities. Interestingly, in this case only an odd number of Dirac fermions is
allowed to occur in the topological surface state, and therefore a quantum anomaly appears that gives
rise to the intriguing topological properties of such a system; as an example, a vortex in the (XY)
ordered state carries an electric charge thus causing an anomalous Hall effect that is quite distinct from
the `more conventional anomalous Hall effect that occurs in conventional ferromagnets (not obtained
via doping with magnetic impurities). Such a quantum anomaly does not usually occur in other
condensed matter system because of cancellation by a fermion doubling effect. In these two examples
there are several quantum group symmetries involved that occur on different scales and at different
locations in such condensed matter systems. Then, the global symmetry of the system is given by a
quantum groupoid.
For materials with crystalline or microscrystalline structures, the current topological materials are
limited to either binary and ternary compositions of heavy elements. At first sight, this would also
limit severely the possibilities of combining correlated electronic, magnetic, superconducting and/or
other local order properties with topological behaviors and topologically-related quantum phenomena.
However, very rapid quenching of various element combinations from liquid mixtures with unusual
proportions of components in binary, ternary, quaternary, etc. mixtures into solid glasses, such as
metallic ones, open new possibilities for such previously forbidden, or very restricted combinations
of material properties arising from quantum-topological phenomena. Upon crystallization of such
metallic or ceramic glasses various several distinct local structures with different atom stoichiometries
are found in such systems. Thus, a somewhat similar, but more complex situation than that considered
for topological insulators or doped ferromagnets, was previously observed in certain ferromagnetic
metallic glasses that are not highly conductive and that exhibit a residual magnetic anisotropy
quenched from either binary or quaternary liquid mixtures into a solid system during its fabrication in
the form of long ribbons [38, 39]. In this case, both longitudinal and transverse spin wave resonance
excitation (FSWR) modes are generated by the resonant (CW) microwave absorptions for several
magnetic field values of an external, static magnetic field; such intense resonant microwave
absorptions occur from regions that are at least within 10 microns from the metallic glass ribbon
surface [39]. An effective exchange Hamiltonian was formulated for such ferromagnetic metallic
glasses, and the presence of a nonlinear magnon dispersion was derived from the two measured FSWR
modes. Upon heating at temperatures well below the glass transition T
g
of such metallic glasses (that
were obtained through very rapid quenching of carefully selected liquid mixture compositions), marked
changes of the spin wave resonances were reported, together with a significant, corresponding decrease
of the magnetic anisotropy of the metallic glass ribbons [38]; such changes were interpreted in terms of
annealing and nucleation of nano-crystalline particles in the surrounding metallic glass [38, 39]. The
annealing and pre-crystallization structural changes induced by only mild heating of the metallic glass
ribbons occurred at different scales and at different locations in the system-- which were then readily
monitored by FSWRbut could not be detected by other techniques such as X-ray
scattering/diffraction and electron microscopy. A QAT framework may also allow progress with
finding solutions of such complex and challenging problems that are posed by annealing and pre-
crystallization processes that occur in metallic glasses, including `mictomagnets [40] and glassy
ferromagnets [39]. The question of the presence in ferromagnetic glasses of a quantum anomaly and
anomalous Hall effect suggested by the Hertz-Moriya-Millis theory [41] (that describes ferromagnetic
quantum criticality in the surface state of three dimensional topological insulators) remains open in the
absence of the required experimental data for ferromagnetic metallic glasses that are not topological
insulators, even though they are not significantly heated by the resonant microwave absorption.
An important potential application of new materials that could exhibit elementary excitations
satisfying non-Abelian statisticsor so-called Majorana fermions (recently suggested in [42])-- would
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be in the development of topological quantum computers requiring the proximity of both
superconducting and ferromagnetic insulating phases, perhaps in a combination of metallic
and ceramic glasses with quantum nanopaticles and quantum dots.


7. References

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Classifications: MSC: 81R40; 16W30; 22A22; 81R50; 4305; 46L10.
PACS:11.30.-j; 11.30.Pb; 61.50.Ah; 03.; 03.65.Fd; 03.70.+k; 33.25.+k; 71.27.+a;74.72.-h.





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Author Profile
Dr. I. C. Baianu received his Ph.D. degree in 1974 from the University of London,
UK. Subsequently, he carried out postdoctoral research at the Cavendish Laboratory
of the University of Cambridge in UK, at the Harwell Nuclear Reactor, and at the
NSF NMR Facility in the Physical Chemistry Department of the University of
Illinois at Urbana (UIUC), USA. He is currently a full Professor in the NPRE and
FSHN departments at UIUC, and has received several awards for significant
contributions to Physical Chemistry applications and Biophysics.






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