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Physical Chemistry Chemical Physics : PCCP, ISSN 1463-9076, 2/2018, Volume 2, Issue 8, pp. 5841 - 5849
We report large-scale and long-time molecular dynamics simulations demonstrating the transformation of a single kaolin alumosilicate sheet to a halloysite... 
Atomic force microscopy | Computer simulation | Nanotubes | Aluminum silicates | Molecular dynamics | Boundary conditions | Atomic structure | Kaolin
Journal Article
Nonlinear Differential Equations and Applications NoDEA, ISSN 1021-9722, 8/2018, Volume 25, Issue 4, pp. 1 - 23
The article deals with Lipschitz continuous differential inclusions that yield star-shaped reachable sets. The purpose of the paper is to show that the radial... 
93B03 | Radial function | Analysis | Generalized solutions | 35D40 | Mathematics | Minkowski function | Differential inclusion | Gauge function | 34A60 | NONSMOOTH ANALYSIS | MATHEMATICS, APPLIED | APPROXIMATIONS | EQUATIONS | Differential equations
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 10/2019, Volume 21, Issue 40, pp. 22647 - 22653
First principles calculations of the magnetic and electronic properties of VSe2 describing the transition between two structural phases (H,T) were performed.... 
Journal Article
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Set-Valued and Variational Analysis, ISSN 1877-0533, 6/2016, Volume 24, Issue 2, pp. 333 - 354
The problem of reachability for differential inclusions is an active topic in the recent control theory. Its solution provides an insight into the dynamics of... 
Geometry | Analysis | MSC 93B03 | Star-shaped sets | Radial (gauge) function | Mathematics | Differential inclusion | MSC 49K15 | Viability | Optimal control synthesis | Reachability sets | MATHEMATICS, APPLIED | Differential equations
Journal Article
Science, ISSN 0036-8075, 09/2016, Volume 353, Issue 6305, pp. 1253 - 1256
Exotic phases of matter can emerge from strong correlations in quantum many-body systems. Quantum gas microscopy affords the opportunity to study these... 
SUPERCONDUCTIVITY | MULTIDISCIPLINARY SCIENCES | MOTT INSULATOR | ATOMS | PHYSICS | OPTICAL LATTICES | ENTROPY | Ferromagnetism | Quantum theory | Research | Magnetism | Crystal lattices | Quantum physics | Matter & antimatter
Journal Article
Physical Review B - Condensed Matter and Materials Physics, ISSN 1098-0121, 10/2015, Volume 92, Issue 14
Using a realistic low-energy model, derived from the first-principles electronic structure calculations, we investigate the behavior of interatomic exchange... 
DENSITY | PHYSICS, CONDENSED MATTER | TRANSPORT | APPROXIMATION | MANGANITES | DOUBLE EXCHANGE | SYSTEMS | BAND-STRUCTURE | MODEL | TRANSITION-METALS | MAGNETIC-INTERACTIONS | Exchange | Origins | Correlation | Approximation | Condensed matter | Mathematical analysis | Ground state | Ferromagnetism
Journal Article
PCCP Physical Chemistry Chemical Physics, ISSN 1463-9076, 2015, Volume 17, Issue 23, pp. 15209 - 15217
We perform a systematic first-principles study of phosphorene in the presence of typical monovalent (hydrogen and fluorine) and divalent (oxygen) impurities.... 
GRAPHENE | CHEMISTRY, PHYSICAL | BLACK PHOSPHORUS | SEMICONDUCTOR | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL
Journal Article
Physical Review B - Condensed Matter and Materials Physics, ISSN 1098-0121, 12/2015, Volume 92, Issue 23
Layered perovskites Sr2IrO4 and Ba2IrO4 are regarded as the key materials for understanding the properties of magnetic relativistic insulators, mediated by the... 
TRANSITION | PHYSICS, CONDENSED MATTER | WEAK FERROMAGNETISM | TEMPERATURES | Electronic structure | Condensed matter | Density functional theory | Ground state | Insulators | Mathematical models | Coupling | Magnetic properties
Journal Article
Nature Physics, ISSN 1745-2473, 2014, Volume 10, Issue 3, pp. 202 - 206
Magnetism-the spontaneous alignment of atomic moments in a material-is driven by quantum mechanical exchange interactions that operate over interatomic... 
MAGNETISM | PHYSICS, MULTIDISCIPLINARY | ANISOTROPIC SUPEREXCHANGE INTERACTION | THERMODYNAMIC THEORY | DIFFRACTION | CRYSTAL | POLARIZED NEUTRONS | SPIN CHIRALITY | Quantum physics | Magnetism | Condensed Matter | Materials Science | Physics
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