Remco W. A. Havenith

Publication Activity (10 Years)

Years Active: 1998-2024
Publications (10 Years): 4

Top Topics

Application Development

Top Venues

J. Comput. Chem.

IBM J. Res. Dev.

J. Chem. Inf. Model.

Publications

Pedro Ferreira, Rui P. P. Neves, Filipa P. Miranda, Ana V. Cunha, Remco W. A. Havenith, Maria João Ramos, Pedro Alexandrino Fernandes
-Hydroperoxyl Formation. J. Chem. Inf. Model. 64 (10) (2024)
Tom Speelman, Ana V. Cunha, R. K. Kathir, Remco W. A. Havenith
Electronic couplings for singlet fission: Orbital choice and extrapolation to the complete basis set limit. J. Comput. Chem. 42 (5) (2021)
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)
Guillaume Acke, Sofie Van Damme, Remco W. A. Havenith, Patrick Bultinck
Interpreting the behavior of the NICSzz by resolving in orbitals, sign, and positions. J. Comput. Chem. 39 (9) (2018)
Marcel J. de Groot, Remco W. A. Havenith, H. Maarten Vinkers, Renate Zwaans, Nico P. E. Vermeulen, Joop H. van Lenthe
Ab initio calculations on iron-porphyrin model systems for intermediates in the oxidative cycle of cytochrome P450s. J. Comput. Aided Mol. Des. 12 (2) (1998)