Related papers: Exact-factorization-based surface-hopping without …
This thesis is devoted to the study of Quantum Field Theories (QFT) on fuzzy spaces. Fuzzy spaces are approximations to the algebra of functions of a continuous space by a finite matrix algebra. In the limit of infinitely large matrices the…
A general-purpose computational homogenization framework is proposed for the nonlinear dynamic analysis of membranes exhibiting complex microscale and/or mesoscale heterogeneity characterized by in-plane periodicity that cannot be…
When the effects of relative motion at the solid object interfaces are not negligible, the contact method is required in the smoothed particle hydrodynamics (SPH) method to prevent virtual shear and tensile stresses. However, there is still…
The extremal functional method determines approximate solutions to the constraints of crossing symmetry, which saturate bounds on the space of unitary CFTs. We show that such solutions are characterized by extremality conditions, which may…
Modeling electronic systems is an important application for quantum computers. In the context of materials science, an important open problem is the computational description of chemical reactions on surfaces. In this work, we outline a…
We consider steady nonlinear free surface flow past an arbitrary bottom topography in three dimensions, concentrating on the shape of the wave pattern that forms on the surface of the fluid. Assuming ideal fluid flow, the problem is…
A remarkable characteristic of quantum computing is the potential for reliable computation despite faulty qubits. This can be achieved through quantum error correction, which is typically implemented by repeatedly applying static syndrome…
We present an open-source MLatom@XACS software ecosystem for on-the-fly surface hopping nonadiabatic dynamics based on the Landau-Zener-Belyaev-Lebedev (LZBL) algorithm. The dynamics can be performed via Python API with a wide range of…
The exact nuclear time-dependent potential energy surface arises from the exact decomposition of electronic and nuclear motion, recently presented in [A. Abedi, N. T. Maitra, and E. K. U. Gross, Phys. Rev. Lett. 105, 123002 (2010)]. Such…
A robust algorithm for non-negative matrix factorization (NMF) is presented in this paper with the purpose of dealing with large-scale data, where the separability assumption is satisfied. In particular, we modify the Linear Programming…
With an increasing complexity of nanoscopic systems and the modeling thereof, new theoretical tools are needed for a reliable calculation of complex systems with strong electronic correlations. To this end, we propose a new approach based…
Quark and gluon jets provide one of the best ways to probe the matter produced in ultrarelativistic high-energy collisions, from cold nuclear matter to hot quark-gluon plasma. In this work, we propose a unified framework for efficient…
We present Hybrid-CSR, a geometric deep-learning model that combines explicit and implicit shape representations for cortical surface reconstruction. Specifically, Hybrid-CSR begins with explicit deformations of template meshes to obtain…
We present two accurate and efficient algorithms for solving the incompressible, irrotational Euler equations with a free surface in two dimensions with background flow over a periodic, multiply-connected fluid domain that includes…
The factorization technique for superintegrable Hamiltonian systems is revisited and applied in order to obtain additional (higher-order) constants of the motion. In particular, the factorization approach to the classical anisotropic…
Many immersed boundary methods solve for surface stresses that impose the velocity boundary conditions on an immersed body. These surface stresses may contain spurious oscillations that make them ill-suited for representing the physical…
We propose an inexact variable-metric proximal point algorithm to accelerate gradient-based optimization algorithms. The proposed scheme, called QNing can be notably applied to incremental first-order methods such as the stochastic…
We propose a framework for simulating the real-time dynamics of quantum field theories (QFTs) using continuous-variable quantum computing (CVQC). Focusing on ($1+1$)-dimensional $\varphi^4$ scalar field theory, the approach employs the…
This paper demonstrates a refined approach to solving dynamic optimization problems for underactuated marine surface vessels. To this end the differential flatness of a mathematical model assuming full actuation is exploited to derive an…
We propose an optimization algorithm called Frictionless Hamiltonian Descent, which is a direct counterpart of classical Hamiltonian Monte Carlo in sampling. We analyze Frictionless Hamiltonian Descent for strongly convex quadratic…