Framework for efficient ab initio electronic structure with Gaussian Process States
We present a general framework for the efficient simulation of realistic fermionic systems
with modern machine-learning-inspired representations of quantum many-body states …
with modern machine-learning-inspired representations of quantum many-body states …
Transformer-Based Neural-Network Quantum State Method for Electronic Band Structures of Real Solids
L Fu, Y Wu, H Shang, J Yang - Journal of Chemical Theory and …, 2024 - ACS Publications
Recent advancements in neural networks have led to significant progress in addressing
many-body electron correlations in small molecules and various physical models. In this …
many-body electron correlations in small molecules and various physical models. In this …
Quantum embedding method with transformer neural network quantum states for strongly correlated materials
H Ma, H Shang, J Yang - npj Computational Materials, 2024 - nature.com
The neural-network quantum states (NNQS) method is rapidly emerging as a powerful tool
in quantum mechanisms. While significant advancements have been achieved in simulating …
in quantum mechanisms. While significant advancements have been achieved in simulating …
Accurate Calculation of Interatomic Forces with Neural Networks Based on a Generative Transformer Architecture
J Lai, B Kan, Y Wu, Q Fu, H Shang, Z Li… - Journal of Chemical …, 2024 - ACS Publications
Using neural networks to express electronic wave functions represents a new paradigm for
solving the Schrödinger equation in quantum chemistry. For practical quantum chemistry …
solving the Schrödinger equation in quantum chemistry. For practical quantum chemistry …
Towards quantum gravity with neural networks: Solving the quantum Hamilton constraint of U (1) BF theory
H Sahlmann, W Sherif - arXiv preprint arXiv:2402.10622, 2024 - arxiv.org
In the canonical approach of loop quantum gravity, arguably the most important outstanding
problem is finding and interpreting solutions to the Hamiltonian constraint. In this work, we …
problem is finding and interpreting solutions to the Hamiltonian constraint. In this work, we …
Solving the Electronic Schrödinger Equation by Pairing Tensor-Network State with Neural Network Quantum State
B Kan, Y Tian, D Xie, Y Wu, Y Fan, H Shang - Mathematics, 2024 - mdpi.com
Neural network methods have shown promise for solving complex quantum many-body
systems. In this study, we develop a novel approach through incorporating the density-matrix …
systems. In this study, we develop a novel approach through incorporating the density-matrix …