68 citations · 136 across the 5 of their papers we have counts for
5 papers
Multi-objective optimization and quantum hybridization of equivariant deep learning interatomic potentials
G. Laskaris, D. Morozov, D. Tarpanov +6
Allegro is a machine learning interatomic potential model designed to predict atomic properties in molecules using E(3) equivariant neural networks. When training this model, there…
Tensor networks for quantum computing
Aleksandr Berezutskii, Minzhao Liu, Atithi Acharya +25
In the rapidly evolving field of quantum computing, tensor networks serve as an important tool due to their multifaceted utility. In this paper, we review the diverse applications…
Alternant Hydrocarbon Diradicals as Optically Addressable Molecular Qubits
Yong Rui Poh, Dmitry Morozov, Nathanael P. Kazmierczak +3
High-spin molecules allow for bottom-up qubit design and are promising platforms for magnetic sensing and quantum information science. Optical addressability of molecular electron…
Protein-protein docking using a tensor train black-box optimization method
Dmitry Morozov, Artem Melnikov, Vishal Shete +1
Black-box optimization methods play an important role in many fields of computational simulation. In particular, such methods are often used in the design and modelling of biologic…
Enhanced Excitation Energy Transfer under Strong Light-Matter Coupling: Insights from Multi-Scale Molecular Dynamics Simulations
Ilia Sokolovskii, Ruth H. Tichauer, Dmitry Morozov +2
Exciton transport can be enhanced in the strong coupling regime where excitons hybridise with confined light modes to form polaritons. Because polaritons have group velocity, their…