World's Best Scientists 2026 revealed!
Dennis R. Salahub

Dennis R. Salahub

Award Badge
Chemistry
Canada
2025

D-Index & Metrics

Chemistry

D-Index
79
Citations
34725
World Ranking
3534
National Ranking
86

Research.com Recognitions

  • 2025 - Research.com Chemistry in Canada Leader Award
  • 2022 - Research.com Chemistry in Canada Leader Award
  • 2005 - Fellow of the American Association for the Advancement of Science (AAAS)
  • 1998 - Fellow of the Royal Society of Canada Academy of Science

Overview

Dennis R. Salahub is affiliated with the University of Calgary in Canada. Their research spans multiple intersecting fields, primarily focusing on materials science and its subfields. Key areas of study include materials chemistry, molecular biology, atomic and molecular physics and optics, computational theory and mathematics, and artificial intelligence. This range illustrates a cross-disciplinary approach combining theoretical and computational methods to address complex scientific problems.

The scientist's main research topics cover various aspects such as machine learning applications in materials science, computational drug discovery methods, two-dimensional materials and their applications, advanced studies in chemical physics, protein structure and dynamics, electronic and structural properties of oxides, and catalysis and oxidation reactions.

Frequent collaborators in their work include Maicon Pierre Lourenço, Mosayeb Naseri, Jiří Hostaš, Alain Tchagang, and Andreas M. Köster, indicating an extensive collaborative network across different research domains.

Several scientific journals and venues have repeatedly published their work. Among these are:

  • Physical Chemistry Chemical Physics
  • arXiv (Cornell University)
  • Journal of Computational Chemistry
  • Journal of Chemical Theory and Computation
  • Theoretical Chemistry Accounts

Recent publications by Dennis R. Salahub include:

  • DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science, 2022, Physical Chemistry Chemical Physics
  • A transformer-based model to predict peptide-HLA class I binding and optimize mutated peptides for vaccine design, 2022, Nature Machine Intelligence
  • DTI-MLCD: predicting drug-target interactions using multi-label learning with community detection method, 2020, Briefings in Bioinformatics
  • MDA-GCNFTG: identifying miRNA-disease associations based on graph convolutional networks via graph sampling through the feature and topology graph, 2021, Briefings in Bioinformatics
  • Multi-functional lead-free Ba2XSbO6 (X = Al, Ga) double perovskites with direct bandgaps for photocatalytic and thermoelectric applications: A first principles study, 2023, Materials Today Communications

Dennis R. Salahub has been recognized as a Fellow of the American Association for the Advancement of Science (AAAS) since 2005 and is also a Fellow of the Royal Society of Canada, within its Academy of Science since 1998.

Best Publications

  • Molecular excitation energies to high-lying bound states from time-dependent density-functional response theory: Characterization and correction of the time-dependent local density approximation ionization threshold

    Mark E. Casida;Christine Jamorski;Kim C. Casida;Dennis R. Salahub

  • Optimization of Gaussian-type basis sets for local spin density functional calculations. Part I. Boron through neon, optimization technique and validation

    Nathalie Godbout;Dennis R. Salahub;Jan Andzelm;Erich Wimmer

  • Dynamic polarizabilities and excitation spectra from a molecular implementation of time‐dependent density‐functional response theory: N2 as a case study

    Christine Jamorski;Mark E. Casida;Dennis R. Salahub

  • Density functional theory augmented with an empirical dispersion term. Interaction energies and geometries of 80 noncovalent complexes compared with ab initio quantum mechanics calculations

    Petr Jurečka;Petr Jurečka;Jiří Černý;Pavel Hobza;Dennis R. Salahub

  • New algorithm for the optimization of geometries in local density functional theory

    Alain St-Amant;Dennis R. Salahub

  • NUCLEAR MAGNETIC RESONANCE SHIELDING TENSORS CALCULATED WITH A SUM-OVER-STATES DENSITY FUNCTIONAL PERTURBATION THEORY

    Vladimir G. Malkin;Olga L. Malkina;Mark E. Casida;Dennis R. Salahub

  • Gaussian density functional calculations on hydrogen-bonded systems

    Fiona Sim;Alain St. Amant;Alain St. Amant;Imre Papai;Dennis R. Salahub

  • Electrical and mechanical properties of distorted carbon nanotubes

    Alain Rochefort;Phaedon Avouris;Frédéric Lesage;Dennis R. Salahub

  • Semiempirical Quantum Chemical PM6 Method Augmented by Dispersion and H-Bonding Correction Terms Reliably Describes Various Types of Noncovalent Complexes.

    Jan Řezáč;Jindřich Fanfrlík;Dennis R Salahub;Pavel Hobza

  • Asymptotic correction approach to improving approximate exchange–correlation potentials: Time-dependent density-functional theory calculations of molecular excitation spectra

    Mark E. Casida;Dennis R. Salahub

  • Charge-transfer correction for improved time-dependent local density approximation excited-state potential energy curves: Analysis within the two-level model with illustration for H2 and LiH

    Mark E. Casida;Fabien Gutierrez;Jingang Guan;Florent-Xavier Gadea

  • The Effects of Finite Length on the Electronic Structure of Carbon Nanotubes

    Alain Rochefort;Dennis R. Salahub;Phaedon Avouris

  • Structure, bonding, and magnetism of small Fen, Con, and Nin clusters, n ≤ 5

    Miguel Castro;Miguel Castro;Christine Jamorski;Dennis R. Salahub

  • Excited-state potential energy curves from time-dependent density-functional theory: A cross section of formaldehyde's 1A1 manifold

    Mark E. Casida;Kim C. Casida;Dennis R. Salahub

  • Transition‐Metal Atoms and Dimers

    Dennis R. Salahub

  • Density functional study of nitrogen oxides

    András Stirling;Imre Pápai;János Mink;Dennis R. Salahub

  • Calculation of spin—spin coupling constants using density functional theory

    Vladimir G. Malkin;Olga L. Malkina;Dennis R. Salahub

  • A transformer-based model to predict peptide–HLA class I binding and optimize mutated peptides for vaccine design

    Unknown

  • Analytical gradient of the linear combination of Gaussian‐type orbitals—local spin density energy

    R. Fournier;J. Andzelm;D.R. Salahub

  • Model potential calculations for second‐row transition metal molecules within the local‐spin‐density method

    Jan Andzelm;Elżbieta Radzio;Dennis R. Salahub

  • Nuclear magnetic resonance spin-spin coupling constants from density functional theory: Problems and results

    Olga L. Malkina;Dennis R. Salahub;Vladimir G. Malkin

Frequent Co-Authors

Jan Andzelm
Jan Andzelm United States Army Research Laboratory
Imre Pápai
Imre Pápai Hungarian Academy of Sciences
Olga L. Malkina
Olga L. Malkina Slovak Academy of Sciences
Vladimir G. Malkin
Vladimir G. Malkin Slovak Academy of Sciences
Nino Russo
Nino Russo University of Calabria
Alberto Vela
Alberto Vela CINVESTAV
Ana Martínez
Ana Martínez Spanish National Research Council
Phaedon Avouris
Phaedon Avouris IBM (United States)
Martin Kaupp
Martin Kaupp Technical University of Berlin
Dong-Qing Wei
Dong-Qing Wei Shanghai Jiao Tong University

If you think any of the details on this page are incorrect, let us know.

Report an issue

We appreciate your kind effort to assist us to improve this page, it would be helpful providing us with as much detail as possible in the text box below:

Related Online Degrees & Career Pathways

For those passionate about Chemistry, exploring related online degrees can broaden career opportunities. Many students consider how much is a criminal justice degree when comparing costs, as affordability often influences degree choice. While criminal justice may seem unrelated to Chemistry, understanding its financial and educational commitments provides useful perspective when evaluating various fields.

Students seeking shorter programs might look into a 2 year criminal justice degree online, which offers a quicker path to employment. Similarly, associate degrees such as a paralegal associate degree provide practical skills with relatively low time and financial investment. These examples highlight the range of pathways available, including those linked to scientific and analytical professions.

Among science-related careers, becoming a pharmaceutical sales rep is a popular option. Learning about pharma sales rep salary and career paths can help Chemistry graduates decide how best to apply their knowledge in dynamic industries. This role merges scientific understanding with interpersonal skills, offering a rewarding and lucrative direction.

By considering these diverse online degrees and career pathways, Chemistry students can make informed decisions about their futures. The balance of cost, duration, and industry demand found in related programs supports strategic planning toward successful careers.

Best Scientists Citing Dennis R. Salahub

Trending Scientists

Recently Published Articles