6 citations · 7 across the 5 of their papers we have counts for
3 papers · 1 filter
Tree Tensor Networks Methods for Efficient Calculation of Molecular Vibrational Spectra
Shuo Sun, Richard M. Milbradt, Stefan Knecht +2
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…
Protein Folding with Neural Ordinary Differential Equations
Arielle Sanford, Shuo Sun, Christian B. Mendl
Recent advances in protein structure prediction, such as AlphaFold, have demonstrated the power of deep neural architectures like the Evoformer for capturing complex spatial and ev…
Riemannian quantum circuit optimization based on matrix product operators
Isabel Nha Minh Le, Shuo Sun, Christian B. Mendl
We significantly enhance the simulation accuracy of initial Trotter circuits for Hamiltonian simulation of quantum systems by integrating first-order Riemannian optimization with t…