From quantum to classical molecular dynamics: Reduced models and numerical analysis.
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Research exposition (monographs, survey articles) pertaining to mechanics of particles and systems (70-02) Research exposition (monographs, survey articles) pertaining to quantum theory (81-02) Molecular physics (81V55) Research exposition (monographs, survey articles) pertaining to statistical mechanics (82-02)
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Cited in
(only showing first 100 items - show all)- On numerical study of the discrete spectrum of a two-dimensional Schrödinger operator with soliton potential
- Sparse interpolation in terms of multivariate Chebyshev polynomials
- Discrete variational derivative method -- a structure-preserving numerical method for partial differential equations
- On some rigorous aspects of fragmented condensation
- Residual-Based Time Discretization on Nonlinear Approximation Manifolds: Analysis and Gaussian Applications
- Accelerating the simulation of kinetic shear Alfvén waves with a dynamical low-rank approximation
- Multirevolution integrators for differential equations with fast stochastic oscillations
- On the dynamics of polarons in the strong-coupling limit
- At the interface between semiclassical analysis and numerical analysis of wave scattering problems. Abstracts from the workshop held September 25 -- October 1, 2022
- Exponential collocation methods based on continuous finite element approximations for efficiently solving the cubic Schrödinger equation
- Convergence of quasi-optimal sparse-grid approximation of Hilbert-space-valued functions: Application to random elliptic PDEs
- Discrete pseudo-differential operators and applications to numerical schemes
- Space-fractional diffusion equation with variable coefficients: well-posedness and Fourier pseudospectral approximation
- Lie-Trotter operator splitting spectral method for linear semiclassical fractional Schrödinger equation
- Preconditioned low-rank Riemannian optimization for linear systems with tensor product structure
- Solvable one-dimensional multi-state models for statistical and quantum mechanics
- Dynamical approximations for composite quantum systems: assessment of error estimates for a separable ansatz
- Quantized tensor-structured finite elements for second-order elliptic PDEs in two dimensions
- Computing Semigroups with Error Control
- Computing the matrix sine and cosine simultaneously with a reduced number of products
- A new approach for determining the time step when propagating with the Lanczos algorithm
- The spectrogram expansion of Wigner functions
- High-order commutator-free quasi-Magnus exponential integrators for non-autonomous~linear evolution equations
- Time integration of tree tensor networks
- A Low-Rank Projector-Splitting Integrator for the Vlasov--Poisson Equation
- Various variational approximations of quantum dynamics
- The Hagedorn-Hermite correspondence
- Time integration of tensor trains
- Tensor spaces and hierarchical tensor representations
- Variational Gaussian approximation for the magnetic Schrödinger equation
- Can classical equations simulate quantum-mechanical behavior? a molecular dynamics investigation of a diatomic molecule with a morse potential
- Time integration of symmetric and anti-symmetric low-rank matrices and Tucker tensors
- Existence of dynamical low-rank approximations to parabolic problems
- Geometry and dynamics of Gaussian Wave packets and their Wigner transforms
- An Efficient Dynamical Low-Rank Algorithm for the Boltzmann-BGK Equation Close to the Compressible Viscous Flow Regime
- A projector-splitting integrator for dynamical low-rank approximation
- Birkhoff normal form for splitting methods applied to semilinear Hamiltonian PDEs. I: Finite-dimensional discretization
- A splitting approach for the magnetic Schrödinger equation
- A block Krylov subspace time-exact solution method for linear ordinary differential equation systems.
- The Dirac-Frenkel principle for reduced density matrices, and the Bogoliubov-de Gennes equations
- Dynamical low-rank approximation to the solution of parabolic differential equations
- The frame bundle picture of Gaussian wave packet dynamics in semiclassical mechanics
- Reduced augmentation implicit low-rank (RAIL) integrators for advection-diffusion and Fokker-Planck models
- The Gaussian wave packet transform for the semi-classical Schrödinger equation with vector potentials
- Dynamically Orthogonal Runge–Kutta Schemes with Perturbative Retractions for the Dynamical Low-Rank Approximation
- Setting and analysis of the multi-configuration time-dependent Hartree-Fock equations
- Low-rank tensor methods for partial differential equations
- Stable Rank-Adaptive Dynamically Orthogonal Runge–Kutta Schemes
- Reduced basis methods for time-dependent problems
- Projection methods for dynamical low-rank approximation of high-dimensional problems
- Spawning semiclassical wavepackets
- On Hagedorn wavepackets associated with different gaussians
- Splitting in Potential Finite-Difference Schemes with Discrete Transparent Boundary Conditions for the Time-Dependent Schrödinger Equation
- Interpolation lattices for hyperbolic cross trigonometric polynomials
- A study of defect-based error estimates for the Krylov approximation of \(\varphi\)-functions
- Numerical integrators based on the Magnus expansion for nonlinear dynamical systems
- Optimization on the hierarchical Tucker manifold - applications to tensor completion
- Iterative hard thresholding for low CP-rank tensor models
- Approximation of semiclassical expectation values by symplectic Gaussian wave packet dynamics
- Uniform observable error bounds of Trotter formulae for the semiclassical Schrödinger equation
- Computing quantum dynamics in the semiclassical regime
- A Multilevel Stochastic Collocation Method for Schrödinger Equations with a Random Potential
- Time-splitting finite difference method with the wavelet-adaptive grids for semiclassical Gross-Pitaevskii equation in supercritical case
- Derivation of the Hartree equation for compound Bose gases in the mean field limit
- A low-rank Lie-Trotter splitting approach for nonlinear fractional complex Ginzburg-Landau equations
- Parallel transport dynamics for mixed quantum states with applications to time-dependent density functional theory
- Applying splitting methods with complex coefficients to the numerical integration of unitary problems
- Splitting methods for differential equations
- Correlation corrections as a perturbation to the quasi-free approximation in many-body quantum systems
- Model reduction on manifolds: a differential geometric framework
- An Adaptive Multiscale Approach for Electronic Structure Methods
- Modewise operators, the tensor restricted isometry property, and low-rank tensor recovery
- Scattered wave packet formalism for open quantum systems: Comparison with the non-Markovian time-dependent Schrödinger equation
- Error analysis of the dynamically orthogonal approximation of time dependent random PDEs
- A Fast Matrix-free Algorithm for Spectral Approximations to the Schrödinger Equation
- Quantum-jump vs stochastic Schrödinger dynamics for Gaussian states with quadratic Hamiltonians and linear Lindbladians
- Passage from Quantum to Classical Molecular Dynamics in the Presence of Coulomb Interactions
- Fourier pseudospectral method on generalized sparse grids for the space-fractional Schrödinger equation
- Dynamical low-rank approximation for stochastic differential equations
- Second order exponential splittings in the presence of unbounded and time-dependent operators: construction and convergence
- On manifolds of tensors of fixed TT-rank
- Efficient low-rank approximation of the stochastic Galerkin matrix in tensor formats
- Effective approximation for the semiclassical Schrödinger equation
- Non-Hermitian propagation of Hagedorn wavepackets
- On the Cauchy problem for the Hartree approximation in quantum dynamics
- Convergence of a semiclassical wavepacket based time-splitting for the Schrödinger equation
- Inverse \(N\)-body scattering with the time-dependent Hartree-Fock approximation
- Dynamical reduced basis methods for Hamiltonian systems
- Rank-Adaptive Time Integration of Tree Tensor Networks
- Lower Memory Oblivious (Tensor) Subspace Embeddings with Fewer Random Bits: Modewise Methods for Least Squares
- Prony's method in several variables: symbolic solutions by universal interpolation
- Time adaptive Zassenhaus splittings for the Schrödinger equation in the semiclassical regime
- Dynamical Low-Rank Integrator for the Linear Boltzmann Equation: Error Analysis in the Diffusion Limit
- Symmetric-conjugate splitting methods for linear unitary problems
- Limited‐memory polynomial methods for large‐scale matrix functions
- Two comments on the derivation of the time-dependent Hartree-Fock equation
- Efficient 6D Vlasov simulation using the dynamical low-rank framework \texttt{Ensign}
- Generalization error estimates of a machine learning method for solving high-dimensional Schrödinger eigenvalue problems
- The foundations of spectral computations via the solvability complexity index hierarchy
- Low rank tensor recovery via iterative hard thresholding
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