Lucas Visscher

Publication Activity (10 Years)

Years Active: 1997-2024
Publications (10 Years): 9

Top Topics

High Level Programming

Application Development

Top Venues

J. Comput. Chem.

J. Chem. Inf. Model.

IBM J. Res. Dev.

J. Comput. Phys.

Publications

Emiel Koridon, Joana Fraxanet, Alexandre Dauphin, Lucas Visscher, Thomas E. O'Brien, Stefano Polla
A hybrid quantum algorithm to detect conical intersections. Quantum 8 (2024)
Bas van Beek, Juliette Zito, Lucas Visscher, Ivan Infante
CAT: A Compound Attachment Tool for the Construction of Composite Chemical Compounds. J. Chem. Inf. Model. 62 (22) (2022)
Jan Paul Menzel, Martijn Kloppenburg, Jelena Belic, Huub J. M. de Groot, Lucas Visscher, Francesco Buda
Efficient workflow for the investigation of the catalytic cycle of water oxidation catalysts: Combining GFN-xTB and density functional theory. J. Comput. Chem. 42 (26) (2021)
Mark A. J. Koenis, Olivier Visser, Lucas Visscher, Wybren J. Buma, Valentin P. Nicu
GUI Implementation of VCDtools, A Program to Analyze Computed Vibrational Circular Dichroism Spectra. J. Chem. Inf. Model. 60 (1) (2020)
Arno Förster, Lucas Visscher
Double hybrid DFT calculations with Slater type orbitals. J. Comput. Chem. 41 (18) (2020)
Lixiang Luo, Tjerk P. Straatsma, Luis Enrique Aguilar-Suárez, Ria Broer, Dmytro Bykov, Eduardo F. D'Azevedo, Shirin S. Faraji, Kalyana C. Gottiparthi, Coen de Graaf, J. Austin Harris, Remco W. A. Havenith, Hans Jørgen Aagard Jensen, Wayne Joubert, R. K. Kathir, Jeff Larkin, Ying Wai Li, Dmitry I. Lyakh, O. E. Bronson Messer, Matthew R. Norman, Joseph C. Oefelein, Ramanan Sankaran, Andreas F. Tillack, Ashleigh L. Barnes, Lucas Visscher, Jack C. Wells, Meilani Wibowo
Pre-exascale accelerated application development: The ORNL Summit experience. IBM J. Res. Dev. 64 (3/4) (2020)
Felipe Zapata, Lars Ridder, Johan Hidding, Christoph R. Jacob, Ivan Infante, Lucas Visscher
QMflows: A Tool Kit for Interoperable Parallel Workflows in Quantum Chemistry. J. Chem. Inf. Model. 59 (7) (2019)
Danny Schlüns, Mirko Franchini, Andreas W. Götz, Johannes Neugebauer, Christoph R. Jacob, Lucas Visscher
Analytical gradients for subsystem density functional theory within the slater-function-based amsterdam density functional program. J. Comput. Chem. 38 (4) (2017)
Benjamin Helmich-Paris, Lucas Visscher
Improvements on the minimax algorithm for the Laplace transformation of orbital energy denominators. J. Comput. Phys. 321 (2016)
Mirko Franchini, Pierre Herman Theodoor Philipsen, Lucas Visscher
The Becke Fuzzy Cells Integration Scheme in the Amsterdam Density Functional Program Suite. J. Comput. Chem. 34 (21) (2013)
Christoph R. Jacob, S. Maya Beyhan, Rosa E. Bulo, André Severo Pereira Gomes, Andreas W. Götz, Karin Kiewisch, Jetze Sikkema, Lucas Visscher
PyADF - A scripting framework for multiscale quantum chemistry. J. Comput. Chem. 32 (10) (2011)
Christoph R. Jacob, Johannes Neugebauer, Lucas Visscher
A flexible implementation of frozen-density embedding for use in multilevel simulations. J. Comput. Chem. 29 (6) (2008)
André Severo Pereira Gomes, André Merzky, Lucas Visscher
A Framework for Execution of Computational Chemistry Codes in Grid Environments. International Conference on Computational Science (3) (2006)
Ivan Infante, Bas van Stralen, Lucas Visscher
A QM/MM study on the aqueous solvation of the tetrahydroxouranylate [UO2(OH)4]2- complex ion. J. Comput. Chem. 27 (11) (2006)
Ivan Infante, Lucas Visscher
QM/MM study of aqueous solvation of the uranyl fluoride [UO2F42-] complex. J. Comput. Chem. 25 (3) (2004)
Markus Pernpointner, Lucas Visscher
Parallelization of four-component calculations. II. Symmetry-driven parallelization of the 4-Spinor CCSD algorithm. J. Comput. Chem. 24 (6) (2003)
Lucas Visscher
The Dirac equation in quantum chemistry: Strategies to overcome the current computational problems. J. Comput. Chem. 23 (8) (2002)
Markus Pernpointner, Lucas Visscher, Wibe A. de Jong, Ria Broer
Parallelization of four-component calculations. I. Integral generation, SCF, and four-index transformation in the Dirac-Fock package MOLFDIR. J. Comput. Chem. 21 (13) (2000)
Lucas Visscher, Thomas Enevoldsen, Trond Saue, Hans Jorgen Aagard Jensen, Jens Oddershede
Full four-component relativistic calculations of NMR shielding and indirect spin-spin coupling tensors in hydrogen halides. J. Comput. Chem. 20 (12) (1999)
Jacek Styszynki, Xiaoping Cao, Gulzari L. Malli, Lucas Visscher
, n = 1, 2, 4, 6). J. Comput. Chem. 18 (5) (1997)