108 citations · 1.6k across the 73 of their papers we have counts for
8 papers · 1 filter
Quantum Information-Assisted Complete Active Space Optimization (QICAS)
Lexin Ding, Stefan Knecht, Christian Schilling
Automated active space selection is arguably one of the most challenging and essential aspects of multiconfigurational methods. In this work we propose an effective quantum informa…
Shielded Reinforcement Learning for Hybrid Systems
Asger Horn Brorholt, Peter Gjøl Jensen, Kim Guldstrand Larsen +2
Safe and optimal controller synthesis for switched-controlled hybrid systems, which combine differential equations and discrete changes of the system's state, is known to be intric…
The inverse problem for neural networks
Marcelo Forets, Christian Schilling
We study the problem of computing the preimage of a set under a neural network with piecewise-affine activation functions. We recall an old result that the preimage of a polyhedral…
Refining the weighted subspace-search variational quantum eigensolver: compression of ansätze into a single pure state and optimization of weights
Cheng-Lin Hong, Luis Colmenarez, Lexin Ding +2
The weighted subspace-search variational quantum eigensolver (SSVQE) is a prominent algorithm for calculating excited-state properties of molecular quantum systems. In this work, w…
1-matrix functional for long-range interaction energy of two hydrogen atoms
Jerzy Cioslowski, Christian Schilling, Rolf Schilling
The leading terms in the large- asymptotics of the functional of the one-electron reduced density matrix for the ground-state energy of the H molecule with the internuclear…
Physical Entanglement Between Localized Orbitals
Lexin Ding, Gesa Dünnweber, Christian Schilling
In [arXiv:2207.03377] the first closed formula of a faithful entanglement measure applicable to realistic electron systems has been derived. In the present work, we build on this k…