Publications by authors named "Klaas Gunst"

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High-performance QM/MM Enhanced Sampling Molecular Dynamics Simulations with GENESIS SPDYN and QSimulate-QM.
Kiyoshi Yagi, Klaas Gunst, Toru Shiozaki, Yuji Sugita

J Chem Theory Comput· April 2025

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Fast Emulation of Fermionic Circuits with Matrix Product States.
Justin Provazza, Klaas Gunst, Huanchen Zhai, Garnet K-L Chan, Toru Shiozaki

J Chem Theory Comput· May 2024

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Matrix Product States with Large Sites.
Henrik R Larsson, Huanchen Zhai, Klaas Gunst, Garnet Kin-Lic Chan

J Chem Theory Comput· February 2022

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Three-Legged Tree Tensor Networks with SU(2) and Molecular Point Group Symmetry.
Klaas Gunst, Frank Verstraete, Dimitri Van Neck

J Chem Theory Comput· May 2019

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T3NS: Three-Legged Tree Tensor Network States.
Klaas Gunst, Frank Verstraete, Sebastian Wouters, Örs Legeza, Dimitri Van Neck

J Chem Theory Comput· April 2018

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Method for making 2-electron response reduced density matrices approximately N-representable.
Caitlin Lanssens, Paul W Ayers, Dimitri Van Neck, Stijn De Baerdemacker, Klaas Gunst

J Chem Phys· February 2018

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