Materials Theory
2509-8012
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Prospects of quantum computing for molecular sciencesAbstract Molecular science is governed by the dynamics of electrons and atomic nuclei, and by their interactions with electromagnetic fields. A faithful physicochemical understanding of these processes is crucial for the design and synthesis of chemicals and materials of value for our society and economy. Although some problems in this field can be adequately addres... ...
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Quantum cluster algorithm for data classificationAbstract We present a quantum algorithm for data classification based on the nearest-neighbor learning algorithm. The classification algorithm is divided into two steps: Firstly, data in the same class is divided into smaller groups with sublabels assisting building boundaries between data with different labels. Secondly we construct a quantum circuit for classifica... ...
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Mechanics of moving defects in growing sheets: 3-d, small deformation theoryAbstract Growth and other dynamical processes in soft materials can create novel types of mesoscopic defects including discontinuities for the second and higher derivatives of the deformation, and terminating defects for these discontinuities. These higher-order defects move “easily", and can thus confer a great degree of flexibility to the material. We develop a ge... ...
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VQE method: a short survey and recent developments
Tập 6 - Trang 1-21 - 2022
The variational quantum eigensolver (VQE) is a method that uses a hybrid quantum-classical computational approach to find eigenvalues of a Hamiltonian. VQE has been proposed as an alternative to fully quantum algorithms such as quantum phase estimation (QPE) because fully quantum algorithms require quantum hardware that will not be accessible in the near future. VQE has been successfully applied t......
“Irregularization” of systems of conservation laws
Tập 2 - Trang 1-13 - 2018
We explore new ways of regulating defect behavior in systems of conservation laws. Contrary to usual regularization schemes (such as a vanishing viscosity limit), which attempt to control defects by making them smoother, our schemes result in defects which are more singular, and we thus refer to such schemes as “irregularizations”. In particular, we seek to produce delta shock defects which satisf......
The Green tensor of Mindlin’s anisotropic first strain gradient elasticity
Tập 3 - Trang 1-16 - 2019
We derive the Green tensor of Mindlin’s anisotropic first strain gradient elasticity. The Green tensor is valid for arbitrary anisotropic materials, with up to 21 elastic constants and 171 gradient elastic constants in the general case of triclinic media. In contrast to its classical counterpart, the Green tensor is non-singular at the origin, and it converges to the classical tensor a few charact......