Related papers: Accurate, full-dimensional computations of thousan…
We present how to compute vibrational eigenstates with tree tensor network states (TTNSs), the underlying ansatz behind the multilayer multiconfiguration time-dependent Hartree (ML-MCTDH) method. The eigenstates are computed with an…
We develop and employ general Tree Tensor Networks (TTNs) to compute the vibrational spectra for two model systems: a set of 64-dimensional coupled oscillators and acetonitrile. We explore various tree architectures, ranging from the simple…
Accurate vibrational spectra are essential for understanding how molecules behave, yet their computation remains challenging and benchmark data to reliably compare different methods are sparse. Here, we present high-accuracy eigenstate…
Tree tensor network states (TTNS) decompose the system wavefunction to the product of low-rank tensors based on the tree topology, serving as the foundation of the multi-layer multi-configuration time-dependent Hartree (ML-MCTDH) method. In…
Tensor network states are an indispensable tool for the simulation of strongly correlated quantum many-body systems. In recent years, tree tensor network states (TTNS) have been successfully used for two-dimensional systems and to benchmark…
To understand the dynamics of quantum many-body systems, it is essential to study excited eigenstates. While tensor network states have become a standard tool for computing ground states in computational many-body physics, obtaining…
We investigate tree tensor network states for quantum chemistry. Tree tensor network states represent one of the simplest generalizations of matrix product states and the density matrix renormalization group. While matrix product states…
We present a tree-tensor-network-based method to study strongly correlated systems with nonlocal interactions in higher dimensions. Although the momentum-space and quantum-chemistry versions of the density matrix renormalization group…
Tensor networks, such as matrix product states (MPS) and tree tensor network states (TTNS), are powerful ans\"atze for simulating quantum dynamics. While both ans\"atze are theoretically exact in the limit of large bond dimensions, [J.…
The multilayer multiconfiguration time-dependent Hartree (ML-MCTDH) method and the density matrix renormalization group (DMRG) are powerful workhorses applied mostly in different scientific fields. Although both methods are based on tensor…
The interplay of quantum and classical simulation and the delicate divide between them is in the focus of massively parallelized tensor network state (TNS) algorithms designed for high performance computing (HPC). In this contribution, we…
We combine density-functional tight-binding (DFTB) with deep tensor neural networks (DTNN) to maximize the strengths of both approaches in predicting structural, energetic, and vibrational molecular properties. The DTNN is used to learn a…
Matrix product states (MPS), a tensor network designed for one-dimensional quantum systems, has been recently proposed for generative modeling of natural data (such as images) in terms of `Born machine'. However, the exponential decay of…
We investigate the disordered spin-$\frac12$Heisenberg model in two dimensions and employ tree tensor networks (TTNs) with a physics-informed structural optimization of the tree layout, to simulate dynamics in the many-body localization…
We introduce Neural Tensor Network States ($\nu$TNS), a variational many-body wave-function ansatz that integrates deep neural networks with tensor-network architectures. In the $\nu$TNS framework, a neural network serves as a disentangler…
Quantum computing offers the potential for computational abilities that can go beyond classical machines. However, they are still limited by several challenges such as noise, decoherence, and gate errors. As a result, efficient classical…
Tensor Network States (TNS) offer an efficient representation for the ground state of quantum many body systems and play an important role in the simulations of them. Numerous TNS are proposed in the past few decades. However, due to the…
A brief pedagogical overview of recent advances in tensor network state methods are presented that have the potential to broaden their scope of application radically for strongly correlated molecular systems. These include global fermionic…
Tensor network methods, most prominently matrix product states (MPS), have become fundamental tools in modern quantum many-body physics. While MPS and extensions like the multiscale entanglement renormalization ansatz (MERA) and tree tensor…
Machine learning has revolutionized the high-dimensional representations for molecular properties such as potential energy. However, there are scarce machine learning models targeting tensorial properties, which are rotationally covariant.…