World's Best Scientists 2026 revealed!

D-Index & Metrics

Chemistry

D-Index
57
Citations
47836
World Ranking
10902
National Ranking
92

Overview

Jan H. Jensen is affiliated with the University of Copenhagen in Denmark and has contributed extensively to the fields of Chemistry and Materials Science.

Their research spans several subfields, including Materials Chemistry, Organic Chemistry, Molecular Biology, Computational Theory and Mathematics, and Inorganic Chemistry. This multidisciplinary approach is reflected in the variety of topics they have explored, such as Machine Learning in Materials Science, Computational Drug Discovery Methods, Asymmetric Hydrogenation and Catalysis, Chemical Synthesis and Analysis, Organic Chemistry Cycloaddition Reactions, Analytical Chemistry and Chromatography, and Chemical Reaction Mechanisms.

Jensen has published multiple papers in well-regarded venues, with frequent publications in:

  • PeerJ Physical Chemistry
  • Journal of Cheminformatics
  • Journal of Chemical Information and Modeling
  • Angewandte Chemie International Edition
  • Digital Discovery

Among their recent published works are:

  • Chemical space exploration: how genetic algorithms find the needle in the haystack, 2020, PeerJ Physical Chemistry
  • Computational Evolution Of New Catalysts For The Morita-Baylis-Hillman Reaction, 2023, Angewandte Chemie International Edition
  • Fast and automatic estimation of transition state structures using tight binding quantum chemical calculations, 2020, PeerJ Physical Chemistry
  • Using a genetic algorithm to find molecules with good docking scores, 2021, PeerJ Physical Chemistry
  • RegioSQM20: improved prediction of the regioselectivity of electrophilic aromatic substitutions, 2021, Journal of Cheminformatics

The scientist frequently collaborates with a consistent group of coauthors, including Julius Seumer, Nicolai Ree, Maria H. Rasmussen, Casper Steinmann, and Andreas H. Göller, collectively contributing to various research projects.

Best Publications

  • General atomic and molecular electronic structure system

    Michael W. Schmidt;Kim K. Baldridge;Jerry A. Boatz;Steven T. Elbert

  • PROPKA3: Consistent Treatment of Internal and Surface Residues in Empirical pKa Predictions

    Mats H. M. Olsson;Chresten R. Søndergaard;Michal Rostkowski;Jan H. Jensen

  • Very fast empirical prediction and rationalization of protein pKa values

    Hui Li;Andrew D. Robertson;Jan H. Jensen

  • Improved Treatment of Ligands and Coupling Effects in Empirical Calculation and Rationalization of pKa Values.

    Chresten R. Søndergaard;Mats H. M. Olsson;Michał Rostkowski;Jan H. Jensen

  • PDB2PQR: expanding and upgrading automated preparation of biomolecular structures for molecular simulations

    Todd J. Dolinsky;Paul Czodrowski;Hui Li;Jens E. Nielsen

  • Very fast prediction and rationalization of pKa values for protein-ligand complexes.

    Delphine C. Bas;David M. Rogers;Jan H. Jensen

  • An effective fragment method for modeling solvent effects in quantum mechanical calculations

    Paul N. Day;Jan H. Jensen;Mark S. Gordon;Simon P. Webb

  • On the Number of Water Molecules Necessary To Stabilize the Glycine Zwitterion

    Jan H. Jensen;Mark S. Gordon

  • Graphical analysis of pH-dependent properties of proteins predicted using PROPKA

    Michał Rostkowski;Mats H M Olsson;Chresten R Søndergaard;Jan H Jensen

  • A graph-based genetic algorithm and generative model/Monte Carlo tree search for the exploration of chemical space

    Jan H. Jensen

  • Chapter 10 The Effective Fragment Potential: A General Method for Predicting Intermolecular Interactions

    Mark S. Gordon;Lyudmilla Slipchenko;Hui Li;Jan H. Jensen

  • The conformational potential energy surface of glycine : a theoretical study

    Jan H. Jensen;Mark S. Gordon

  • Understanding the Hydrogen Bond Using Quantum Chemistry

    Mark S. Gordon;Jan H. Jensen

  • Leaf morphological differentiation between Quercus robur and Quercus petraea is stable across western European mixed oak stands

    Antoine Kremer;Jean Luc Dupouey;J. Douglas Deans;Joan Cottrell

  • FTIR Spectroscopy Combined with Isotope Labeling and Quantum Chemical Calculations to Investigate Adsorbed Bicarbonate Formation Following Reaction of Carbon Dioxide with Surface Hydroxyl Groups on Fe2O3 and Al2O3.

    Jonas Baltrusaitis;Jan H. Jensen;Vicki H. Grassian

  • Evaluation of Charge Penetration Between Distributed Multipolar Expansions

    Mark Alan Freitag;Mark S. Gordon;Jan H. Jensen;Walter J. Stevens

  • Prediction and rationalization of protein pKa values using QM and QM/MM methods.

    Jan H. Jensen;Hui Li;and Andrew D. Robertson;Pablo A. Molina

  • The polarizable continuum model (PCM) interfaced with the fragment molecular orbital method (FMO)

    Dmitri G. Fedorov;Kazuo Kitaura;Hui Li;Jan H. Jensen

  • Determinants of the relative reduction potentials of type-1 copper sites in proteins.

    Hui Li;Simon P. Webb;Joseph Ivanic;Jan H. Jensen

  • QM/MM Boundaries Across Covalent Bonds: A Frozen Localized Molecular Orbital-Based Approach for the Effective Fragment Potential Method

    Visvaldas Kairys;Jan H. Jensen

Frequent Co-Authors

Mark S. Gordon
Mark S. Gordon Iowa State University
Dmitri G. Fedorov
Dmitri G. Fedorov National Institute of Advanced Industrial Science and Technology
Kazuo Kitaura
Kazuo Kitaura Kyoto University
Jesper Nygård
Jesper Nygård University of Copenhagen
Thomas Willum Hansen
Thomas Willum Hansen Technical University of Denmark
Per Halfdan Nielsen
Per Halfdan Nielsen University of Copenhagen
Carsten Christophersen
Carsten Christophersen University of Copenhagen
Sine Larsen
Sine Larsen University of Copenhagen
Mads Brandbyge
Mads Brandbyge Technical University of Denmark
Kim K. Baldridge
Kim K. Baldridge Tianjin 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

Exploring Chemistry in the USA opens doors to a variety of related online degrees and career paths. Many students consider complementary fields such as criminal justice, where understanding scientific principles can enhance roles in forensic science and legal investigations. For those starting out, an criminal justice associate degree online offers a flexible and affordable route to enter the field.

Cost is an important factor when choosing a program. To get a clearer picture, research on how much is criminal justice school can help you compare tuition fees and additional expenses associated with online degrees.

Graduates with legal knowledge combined with scientific expertise can pursue paralegal careers in specialized sectors. Understanding the different types of paralegals and salaries is valuable for assessing potential opportunities and income levels in this field.

Another promising career on the horizon for chemistry students is pharmaceutical sales. This path blends scientific knowledge with communication skills. To gauge industry prospects, learning how much do pharmaceutical sales reps make offers insight into expected earnings and growth opportunities.

Best Scientists Citing Jan H. Jensen

Trending Scientists

Recently Published Articles