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ORCIDLucas Visscher
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2020 – today
- 2024
[j19]Emiel Koridon, Joana Fraxanet, Alexandre Dauphin, Lucas Visscher
, Thomas E. O'Brien, Stefano Polla:
A hybrid quantum algorithm to detect conical intersections. Quantum 8: 1259 (2024)- 2022
- [j18]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): 5525-5535 (2022) - 2021
- [j17]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): 1885-1894 (2021) - 2020
- [j16]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, James 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): 11:1-11:21 (2020) - [j15]Arno Förster, Lucas Visscher:
Double hybrid DFT calculations with Slater type orbitals. J. Comput. Chem. 41(18): 1660-1684 (2020) - [j14]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): 259-267 (2020)
2010 – 2019
- 2019
- [j13]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): 3191-3197 (2019) - 2017
- [j12]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): 238-249 (2017) - 2016
- [j11]Benjamin Helmich-Paris, Lucas Visscher:
Improvements on the minimax algorithm for the Laplace transformation of orbital energy denominators. J. Comput. Phys. 321: 927-931 (2016) - 2013
- [j10]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): 1819-1827 (2013) - 2011
- [j9]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): 2328-2338 (2011)
2000 – 2009
- 2008
- [j8]Christoph R. Jacob, Johannes Neugebauer, Lucas Visscher:
A flexible implementation of frozen-density embedding for use in multilevel simulations. J. Comput. Chem. 29(6): 1011-1018 (2008) - 2006
- [j7]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): 1156-1162 (2006) - [c1]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: 97-104 - 2004
- [j6]Ivan Infante, Lucas Visscher:
QM/MM study of aqueous solvation of the uranyl fluoride [UO2F42-] complex. J. Comput. Chem. 25(3): 386-392 (2004) - 2003
- [j5]Markus Pernpointner, Lucas Visscher:
Parallelization of four-component calculations. II. Symmetry-driven parallelization of the 4-Spinor CCSD algorithm. J. Comput. Chem. 24(6): 754-759 (2003) - 2002
- [j4]Lucas Visscher:
The Dirac equation in quantum chemistry: Strategies to overcome the current computational problems. J. Comput. Chem. 23(8): 759-766 (2002) - 2000
- [j3]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): 1176-1186 (2000)
1990 – 1999
- 1999
- [j2]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): 1262-1273 (1999) - 1997
- [j1]Jacek Styszynki, Xiaoping Cao, Gulzari L. Malli, Lucas Visscher:
Relativistic all-electron Dirac-Fock-Breit calculations on xenon fluorides (XeFn, n = 1, 2, 4, 6). J. Comput. Chem. 18(5): 601-608 (1997)
Coauthor Index
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