Dennis R. Salahub

Publication Activity (10 Years)

Years Active: 1995-2024
Publications (10 Years): 5

Top Topics

Positive Effects

Design Concepts

Reinforcement Learning

Semiconductor Manufacturing

Top Venues

J. Comput. Chem.

PLoS Comput. Biol.

Publications

Lizandra Barrios Herrera, Maicon Pierre Lourenço, Jirí Hostas, Patrizia Calaminici, Andreas M. Köster, Alain Tchagang, Dennis R. Salahub
(x = 1, 2, 3). J. Comput. Chem. 45 (19, July) (2024)
Maicon Pierre Lourenço, Jirí Hostas, Colin Bellinger, Alain Tchagang, Dennis R. Salahub
Reinforcement learning for in silico determination of adsorbate - substrate structures. J. Comput. Chem. 45 (15) (2024)
Maicon Pierre Lourenço, Jirí Hostas, Lizandra Barrios Herrera, Patrizia Calaminici, Andreas M. Köster, Alain Tchagang, Dennis R. Salahub
GAMaterial - A genetic-algorithm software for material design and discovery. J. Comput. Chem. 44 (7) (2023)
Mosayeb Naseri, Jaafar Jalilian, Dennis R. Salahub, Maicon Pierre Lourenço, Ghasem Rezaei
Hexatetra-Carbon: A Novel Two-Dimensional Semiconductor Allotrope of Carbon. Comput. 10 (2) (2022)
Rishabh Rishabh, Hadi Zadeh-Haghighi, Dennis R. Salahub, Christoph Simon
Radical pairs may explain reactive oxygen species-mediated effects of hypomagnetic field on neurogenesis. PLoS Comput. Biol. 18 (6) (2022)
Aurélien de la Lande, Dennis R. Salahub, Jacques Maddaluno, Anthony Scemama, Julien Pilmé, Olivier Parisel, Helene Gerard, Michel Caffarel, Jean-Philip Piquemal
Spin-driven activation of dioxygen in various metalloenzymes and their inspired models. J. Comput. Chem. 32 (6) (2011)
Bogdan Lev, Rui Zhang, Aurélien de la Lande, Dennis R. Salahub, Sergei Yu Noskov
The QM-MM interface for CHARMM-deMon. J. Comput. Chem. 31 (5) (2010)
Petr Jurecka, Jirí Cerný, Pavel Hobza, Dennis R. Salahub
quantum mechanics calculations. J. Comput. Chem. 28 (2) (2007)
Nohad Gresh, Sherif A. Kafafi, Jean-François Truchon, Dennis R. Salahub
Intramolecular interaction energies in model alanine and glycine tetrapeptides. Evaluation of anisotropy, polarization, and correlation effects. A parallel ab initio HF/MP2, DFT, and polarizable molecular mechanics study. J. Comput. Chem. 25 (6) (2004)
Suzanne W. Sirois, Emil I. Proynov, Jean-François Truchon, Christos M. Tsoukas, Dennis R. Salahub
A density functional study of the hydrogen-bond network within the HIV-1 protease catalytic site cleft. J. Comput. Chem. 24 (9) (2003)
T. Nguyen Dzung, Andrew C. Scheiner, Jan W. Andzelm, Suzanne W. Sirois, Dennis R. Salahub, Arnold T. Hagler
A density functional study of the glycine molecule: Comparison with post-Hartree-Fock calculations and experiment. J. Comput. Chem. 18 (13) (1997)
Jan W. Andzelm, T. Nguyen Dzung, Rolf Eggenberger, Dennis R. Salahub, Arnold T. Hagler
Applications of the Adiabatic Connection Method to Conformational Equilibria and Reactions Involving Formic Acid. Comput. Chem. 19 (3) (1995)