Lucas Visscher

22 papers Misc 1Journal 21

Year	Rank	Type	Title / Venue / Authors
2026	J	`jnl`	Report on the second Toulouse Tensor Workshop. CoRR Jan Brandejs, Trond Saue, André Severo Pereira Gomes, Lucas Visscher, Paolo Bientinesi
2025	J	`jnl`	Modeling Heterogeneous Catalysis Using Quantum Computers: An Academic and Industry Perspective. J. Chem. Inf. Model. Seenivasan Hariharan, Sachin Kinge, Lucas Visscher
2024	J	`jnl`	A hybrid quantum algorithm to detect conical intersections. Quantum Emiel Koridon, Joana Fraxanet, Alexandre Dauphin, Lucas Visscher, Thomas E. O'Brien, Stefano Polla
2022	J	`jnl`	CAT: A Compound Attachment Tool for the Construction of Composite Chemical Compounds. J. Chem. Inf. Model. Bas van Beek, Juliette Zito, Lucas Visscher, Ivan Infante
2021	J	`jnl`	Efficient workflow for the investigation of the catalytic cycle of water oxidation catalysts: Combining GFN-xTB and density functional theory. J. Comput. Chem. Jan Paul Menzel, Martijn Kloppenburg, Jelena Belic, Huub J. M. de Groot, Lucas Visscher, Francesco Buda
2020	J	`jnl`	Double hybrid DFT calculations with Slater type orbitals. J. Comput. Chem. Arno Förster, Lucas Visscher
2020	J	`jnl`	GUI Implementation of VCDtools, A Program to Analyze Computed Vibrational Circular Dichroism Spectra. J. Chem. Inf. Model. Mark A. J. Koenis, Olivier Visser, Lucas Visscher, Wybren J. Buma, Valentin P. Nicu
2020	J	`jnl`	Pre-exascale accelerated application development: The ORNL Summit experience. IBM J. Res. Dev. 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
2019	J	`jnl`	QMflows: A Tool Kit for Interoperable Parallel Workflows in Quantum Chemistry. J. Chem. Inf. Model. Felipe Zapata, Lars Ridder, Johan Hidding, Christoph R. Jacob, Ivan Infante, Lucas Visscher
2017	J	`jnl`	Analytical gradients for subsystem density functional theory within the slater-function-based amsterdam density functional program. J. Comput. Chem. Danny Schlüns, Mirko Franchini, Andreas W. Götz, Johannes Neugebauer, Christoph R. Jacob, Lucas Visscher
2016	J	`jnl`	Improvements on the minimax algorithm for the Laplace transformation of orbital energy denominators. J. Comput. Phys. Benjamin Helmich-Paris, Lucas Visscher
2013	J	`jnl`	The Becke Fuzzy Cells Integration Scheme in the Amsterdam Density Functional Program Suite. J. Comput. Chem. Mirko Franchini, Pierre Herman Theodoor Philipsen, Lucas Visscher
2011	J	`jnl`	PyADF - A scripting framework for multiscale quantum chemistry. J. Comput. Chem. Christoph R. Jacob, S. Maya Beyhan, Rosa E. Bulo, André Severo Pereira Gomes, Andreas W. Götz, Karin Kiewisch, Jetze Sikkema, Lucas Visscher
2008	J	`jnl`	A flexible implementation of frozen-density embedding for use in multilevel simulations. J. Comput. Chem. Christoph R. Jacob, Johannes Neugebauer, Lucas Visscher
2006	Misc	`conf`	A Framework for Execution of Computational Chemistry Codes in Grid Environments. International Conference on Computational Science (3) André Severo Pereira Gomes, André Merzky, Lucas Visscher
2006	J	`jnl`	A QM/MM study on the aqueous solvation of the tetrahydroxouranylate [UO2(OH)4]2- complex ion. J. Comput. Chem. Ivan Infante, Bas van Stralen, Lucas Visscher
2004	J	`jnl`	QM/MM study of aqueous solvation of the uranyl fluoride [UO2F42-] complex. J. Comput. Chem. Ivan Infante, Lucas Visscher
2003	J	`jnl`	Parallelization of four-component calculations. II. Symmetry-driven parallelization of the 4-Spinor CCSD algorithm. J. Comput. Chem. Markus Pernpointner, Lucas Visscher
2002	J	`jnl`	The Dirac equation in quantum chemistry: Strategies to overcome the current computational problems. J. Comput. Chem. Lucas Visscher
2000	J	`jnl`	Parallelization of four-component calculations. I. Integral generation, SCF, and four-index transformation in the Dirac-Fock package MOLFDIR. J. Comput. Chem. Markus Pernpointner, Lucas Visscher, Wibe A. de Jong, Ria Broer
1999	J	`jnl`	Full four-component relativistic calculations of NMR shielding and indirect spin-spin coupling tensors in hydrogen halides. J. Comput. Chem. Lucas Visscher, Thomas Enevoldsen, Trond Saue, Hans Jorgen Aagard Jensen, Jens Oddershede
1997	J	`jnl`	Relativistic all-electron Dirac-Fock-Breit calculations on xenon fluorides (XeF J. Comput. Chem. Jacek Styszynki, Xiaoping Cao, Gulzari L. Malli, Lucas Visscher