Leaderboards/Various Chemistry Research Topics

Various Chemistry Research Topics

Last updated July 7, 2026

Rising Stars

New and hot

Rising Stars Researchers

1
Esther Heid
TU Wien
2
Philipp Pracht
Heidelberg University
3
Elizabeth W. Kelley
University of Chicago
4
Fatma Kurul
Izmir University
5
Matheus Fernandes Filgueiras
Universidade do Estado do Rio de Janeiro
6
Yerzhan S. Zholdassov
The Graduate Center, CUNY
7
Christoph Plett
Instituto de Física Teórica
8
Tim Bouchée
Eindhoven University of Technology
9
Andryj M. Borys
University of Bern
10
Zhuoran Qiao
Io Therapeutics (United States)

Rising Stars Papers

1
CREST—A program for the exploration of low-energy molecular chemical space
The Journal of Chemical Physics|2024
450 cit.
2
Nanomedicine: How nanomaterials are transforming drug delivery, bio-imaging, and diagnosis
Next Nanotechnology|2025
191 cit.
3
State-specific protein–ligand complex structure prediction with a multiscale deep generative model
Nature Machine Intelligence|2024
144 cit.
4
Principles of green chemistry: building a sustainable future
Discover Chemistry.|2025
124 cit.
5
Kinetics of primary mechanochemical covalent-bond-forming reactions
RSC Mechanochemistry|2024
35 cit.
6
Improving Quantum Chemical Solvation Models by Dynamic Radii Adjustment for Continuum Solvation (DRACO)
The Journal of Physical Chemistry Letters|2024
24 cit.
7
Stoichiometric and Catalytic Lithium Nickelate-Mediated C–F Bond Alkynylation of Fluoroarenes
Journal of the American Chemical Society|2024
18 cit.
8
Spatially Resolved Uncertainties for Machine Learning Potentials
Journal of Chemical Information and Modeling|2024
16 cit.
9
Multilevel Framework for Analysis of Protein Folding Involving Disulfide Bond Formation
The Journal of Physical Chemistry B|2024
14 cit.
10
Efficient Composite Infrared Spectroscopy: Combining the Double-Harmonic Approximation with Machine Learning Potentials
Journal of Chemical Theory and Computation|2024
14 cit.

Emerging Leaders

Gaining momentum

Emerging Leaders Researchers

1
Matthew Towler
Cambridge Crystallographic Data Centre
2
Nisha Adhikari
Tribhuvan University
3
Charles J. McGill
Virginia Commonwealth University
4
Felix Zeller
University of Bremen
5
Jo Evershed
Textron Systems (United Kingdom)
6
Endler Marcel Borges
Universidade Regional de Blumenau
7
Chenchen Song
University of California, Davis
8
Neil K. Adlington
AstraZeneca (Singapore)
9
Hatem M. Titi
McGill University
10
Nicole Graulich
Justus-Liebig-Universität Gießen

Emerging Leaders Papers

1
Chemprop: A Machine Learning Package for Chemical Property Prediction
Journal of Chemical Information and Modeling|2023
524 cit.
2
CREST—A program for the exploration of low-energy molecular chemical space
The Journal of Chemical Physics|2024
450 cit.
3
Exploring new depths: Applying machine learning for the analysis of student argumentation in chemistry
Journal of Research in Science Teaching|2023
42 cit.
4
Iron Quantification in Dietary Supplements using Four Colorimetric Assays
Journal of Chemical Education|2022
36 cit.
5
Patterns of reasoning – exploring the interplay of students’ work with a scaffold and their conceptual knowledge in organic chemistry
Chemistry Education Research and Practice|2022
36 cit.
6
Hypothesis Tests and Exploratory Analysis Using R Commander and Factoshiny
Journal of Chemical Education|2022
30 cit.
7
Quick and Cheap Colorimetric Quantification of Proteins Using 96-Well-Plate Images
Journal of Chemical Education|2022
29 cit.
8
Whey Protein Analysis Using the Lowry Assay and 96-Well-Plate Digital Images Acquired Using Smartphones
Journal of Chemical Education|2023
28 cit.
9
Enhancing Statistical Education in Chemistry and STEAM Using JAMOVI. Part 2. Comparing Dependent Groups and Principal Component Analysis (PCA)
Journal of Chemical Education|2024
27 cit.
10
Closing the gap of organic chemistry students’ performance with an adaptive scaffold for argumentation patterns
Chemistry Education Research and Practice|2022
26 cit.

Current Senior Leaders

Established & currently active

Current Senior Leaders Researchers

1
Feiwu Chen
University of Science and Technology Beijing
2
David A. Case
Rutgers Sexual and Reproductive Health and Rights
3
James J. P. Stewart
St Mary's Hospital
4
Weitao Yang
Duke University
5
H. Bernhard Schlegel
Wayne State University
6
Karen I. Goldberg
California University of Pennsylvania
7
Evan Bolton
National Institutes of Health
8
Michael J. Frisch
Carnegie Mellon University
9
S. Mrozowski
University of Massachusetts Boston
10
E. Wimmer
Materials Design (France)

Current Senior Leaders Papers

1
Multiwfn: A multifunctional wavefunction analyzer
Journal of Computational Chemistry|2011
43k cit.
2
Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields
The Journal of Physical Chemistry|1994
23.1k cit.
3
Development and testing of a general amber force field
Journal of Computational Chemistry|2004
19.6k cit.
4
Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model
Journal of the American Chemical Society|1985
13.1k cit.
5
The Amber biomolecular simulation programs
Journal of Computational Chemistry|2005
9.6k cit.
6
Revealing Noncovalent Interactions
Journal of the American Chemical Society|2010
9.3k cit.
7
Self-consistent molecular orbital methods 25. Supplementary functions for Gaussian basis sets
The Journal of Chemical Physics|1984
8.5k cit.
8
Optimization of parameters for semiempirical methods I. Method
Journal of Computational Chemistry|1989
7.6k cit.
9
An improved algorithm for reaction path following
The Journal of Chemical Physics|1989
6.1k cit.
10
Reaction path following in mass-weighted internal coordinates
The Journal of Physical Chemistry|1990
5.9k cit.

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