66 citations · 205 across the 9 of their papers we have counts for
9 papers
Integrating Classical and Quantum Software for Enhanced Simulation of Realistic Chemical Systems
Tomoya Shiota, Klaas Gunst, Toshio Mori +2
We demonstrate the feasibility of quantum computing for large-scale, realistic chemical systems through the development of a new interface using a quantum circuit simulator and CP2…
Fast emulation of fermionic circuits with matrix product states
Justin Provazza, Klaas Gunst, Huanchen Zhai +4
We describe a matrix product state (MPS) extension for the Fermionic Quantum Emulator (FQE) software library. We discuss the theory behind symmetry adapted matrix product states fo…
Matrix product states with large sites
Henrik R. Larsson, Huanchen Zhai, Klaas Gunst +1
We explore various ways to group orbitals into clusters in a matrix product state (MPS). We explain how a generic cluster MPS can often lead to an increase in computational cost an…
The Fermionic Quantum Emulator
Nicholas C. Rubin, Klaas Gunst, Alec White +5
The fermionic quantum emulator (FQE) is a collection of protocols for emulating quantum dynamics of fermions efficiently taking advantage of common symmetries present in chemical,…
The seniority quantum number in Tensor Network States
Klaas Gunst, Dimitri Van Neck, Peter A. Limacher +1
We employ tensor network methods for the study of the seniority quantum number - defined as the number of unpaired electrons in a many-body wave function - in molecular systems. Se…
The Three-Legged Tree Tensor Networks with SU(2)- and molecular point group symmetry
Klaas Gunst, Frank Verstraete, Dimitri Van Neck
We extend the three-legged tree tensor network state (T3NS) [J. Chem. Theory Comput. 2018, 14, 2026-2033] by including spin and the real abelian point group symmetries. T3NS inters…
T3NS: three-legged tree tensor network states
Klaas Gunst, Frank Verstraete, Sebastian Wouters +2
We present a new variational tree tensor network state (TTNS) ansatz, the three-legged tree tensor network state (T3NS). Physical tensors are interspersed with branching tensors. P…
Method For Making 2-Electron Response Reduced Density Matrices Approximately N-representable
Caitlin Lanssens, Paul W. Ayers, Dimitri Van Neck +3
In methods like geminal-based approaches or coupled cluster that are solved using the projected Schrödinger equation, direct computation of the 2-electron reduced density matrix (2…
Block product density matrix embedding theory for strongly correlated spin systems
Klaas Gunst, Sebastian Wouters, Stijn De Baerdemacker +1
Density matrix embedding theory (DMET) is a relatively new technique for the calculation of strongly correlated systems. Recently, block product DMET (BPDMET) was introduced for th…