Lucas Visscher

Orcid: 0000-0002-7748-6243

According to our database1, Lucas Visscher authored at least 20 papers between 1997 and 2024.

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Bibliography

2024
A hybrid quantum algorithm to detect conical intersections.
Quantum, February, 2024

2022
CAT: A Compound Attachment Tool for the Construction of Composite Chemical Compounds.
J. Chem. Inf. Model., 2022

2021
Efficient workflow for the investigation of the catalytic cycle of water oxidation catalysts: Combining GFN-xTB and density functional theory.
J. Comput. Chem., 2021

2020
GUI Implementation of VCDtools, A Program to Analyze Computed Vibrational Circular Dichroism Spectra.
J. Chem. Inf. Model., 2020

Double hybrid DFT calculations with Slater type orbitals.
J. Comput. Chem., 2020

Pre-exascale accelerated application development: The ORNL Summit experience.
IBM J. Res. Dev., 2020

2019
QMflows: A Tool Kit for Interoperable Parallel Workflows in Quantum Chemistry.
J. Chem. Inf. Model., 2019

2017
Analytical gradients for subsystem density functional theory within the slater-function-based amsterdam density functional program.
J. Comput. Chem., 2017

2016
Improvements on the minimax algorithm for the Laplace transformation of orbital energy denominators.
J. Comput. Phys., 2016

2013
The Becke Fuzzy Cells Integration Scheme in the Amsterdam Density Functional Program Suite.
J. Comput. Chem., 2013

2011
PyADF - A scripting framework for multiscale quantum chemistry.
J. Comput. Chem., 2011

2008
A flexible implementation of frozen-density embedding for use in multilevel simulations.
J. Comput. Chem., 2008

2006
A QM/MM study on the aqueous solvation of the tetrahydroxouranylate [UO2(OH)4]2- complex ion.
J. Comput. Chem., 2006

A Framework for Execution of Computational Chemistry Codes in Grid Environments.
Proceedings of the Computational Science, 2006

2004
QM/MM study of aqueous solvation of the uranyl fluoride [UO2F42-] complex.
J. Comput. Chem., 2004

2003
Parallelization of four-component calculations. II. Symmetry-driven parallelization of the 4-Spinor CCSD algorithm.
J. Comput. Chem., 2003

2002
The Dirac equation in quantum chemistry: Strategies to overcome the current computational problems.
J. Comput. Chem., 2002

2000
Parallelization of four-component calculations. I. Integral generation, SCF, and four-index transformation in the Dirac-Fock package MOLFDIR.
J. Comput. Chem., 2000

1999
Full four-component relativistic calculations of NMR shielding and indirect spin-spin coupling tensors in hydrogen halides.
J. Comput. Chem., 1999

1997
Relativistic all-electron Dirac-Fock-Breit calculations on xenon fluorides (XeF<sub>n</sub>, n = 1, 2, 4, 6).
J. Comput. Chem., 1997


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