Dennis R Salahub (Dennis Salahub, D R Salahub)

Publication Activity (10 Years)

Years Active: 2018-2023
Publications (10 Years): 10

Top Topics

Molecular Dynamics Simulations

Transition Metal

Network Analysis

Top Venues

Physical chemistry chemical physics : PCCP

The Journal of chemical physics

PLoS computational biology

Computation (Basel, Switzerland)

This page only lists publications with an associated author ORCID identifier.

Publications

Mosayeb Naseri, Shirin Amirian, Mehrdad Faraji, Mohammad Abdur Rashid, Maicon Pierre Lourenço, Venkataraman Thangadurai, Dennis R Salahub
Perovskenes: two-dimensional perovskite-type monolayer materials predicted by first-principles calculations. Physical chemistry chemical physics : PCCP (2023)
Dennis R Salahub
Multiscale molecular modelling: from electronic structure to dynamics of nanosystems and beyond. Physical chemistry chemical physics : PCCP 24 (16) (2022)
Mosayeb Naseri, Jaafar Jalilian, Dennis R Salahub, Maicon Pierre Lourenço, Ghasem Rezaei
Hexatetra-Carbon: A Novel Two-Dimensional Semiconductor Allotrope of Carbon. Computation (Basel, Switzerland) 10 (2) (2022)
Maicon Pierre Lourenço, Jiří Hostaš, Lizandra Barrios Herrera, Patrizia Calaminici, Andreas M Köster, Alain Tchagang, Dennis R Salahub
GAMaterial-A genetic-algorithm software for material design and discovery. Journal of computational chemistry (2022)
Maicon Pierre Lourenço, Lizandra Barrios Herrera, Jiří Hostaš, Patrizia Calaminici, Andreas M Köster, Alain Tchagang, Dennis R Salahub
Automatic structural elucidation of vacancies in materials by active learning. Physical chemistry chemical physics : PCCP 24 (41) (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 computational biology 18 (6) (2022)
Andrew M Wibowo-Teale, Trygve Helgaker, Andreas Savin, Carlo Adamo, Bálint Aradi, Alexei V Arbuznikov, Paul W Ayers, Evert Jan Baerends, Vincenzo Barone, Patrizia Calaminici, Eric Cancès, Emily A Carter, Pratim Kumar Chattaraj, Henry Chermette, Ilaria Ciofini, T Daniel Crawford, Frank de Proft, John F Dobson, Claudia Draxl, Thomas Frauenheim, Emmanuel Fromager, Patricio Fuentealba, Soumen Ghosh, Giulia Galli, Jiali Gao, Paul Geerlings, Nikitas I Gidopoulos, Peter M W Gill, Paola Gori-Giorgi, Andreas Görling, Timothy Gould, Stefan Grimme, Oleg V Gritsenko, Hans Jørgen Aagaard Jensen, Erin R Johnson, Robert O Jones, Martin Kaupp, Andreas M Köster, Leeor Kronik, Anna I Krylov, Simen Kvaal, Andre Laestadius, Mel Levy, Mathieu Lewin, Shubin Liu, Pierre-François Loos, Neepa T Maitra, Frank Neese, John P Perdew, Katarzyna Pernal, Pascal Pernot, Piotr Piecuch, Elisa Rebolini, Lucia Reining, Pina Romaniello, Adrienn Ruzsinszky, Dennis R Salahub, Matthias Scheffler, Peter Schwerdtfeger, Viktor N Staroverov, Jianwei Sun, Erik I Tellgren, David J Tozer, Samuel B Trickey, Carsten A Ullrich, Alberto Vela, Giovanni Vignale, Tomasz Adam Wesołowski, Xin Xu, Weitao Yang
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science. Physical chemistry chemical physics : PCCP 24 (47) (2022)
Kazi S Amin, Xiaojuan Hu, Dennis R Salahub, Carsten Baldauf, Carmay Lim, Sergei Yu Noskov
Benchmarking polarizable and non-polarizable force fields for Ca2+-peptides against a comprehensive QM dataset. The Journal of chemical physics 153 (14) (2021)
Aurélien de la Lande, Aurelio Alvarez-Ibarra, Karim Hasnaoui, Fabien Cailliez, Xiaojing Wu, Tzonka Mineva, Jérôme Cuny, Patrizia Calaminici, Luis López-Sosa, Gerald Geudtner, Isabelle Navizet, Cristina Garcı A-Iriepa, Dennis R Salahub, Andreas M Köster
Molecular Simulations with in-deMon2k QM/MM, a Tutorial-Review. Molecules (Basel, Switzerland) 24 (9) (2019)
Hailiang Zhao, Xia Sheng, Stefano Fabris, Dennis R Salahub, Tao Sun, Lin Du
Heterogeneous reactions of SO2 on the hematite(0001) surface. The Journal of chemical physics 149 (19) (2018)