Jens Jørgen Mortensen

Worcester Polytechnic Institute — United States

Physics and Astronomy · Physical Sciences

30h-index11.4kcitations64works32.42yr avg
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Research Topics

Advanced Chemical Physics Studies(20), Machine Learning in Materials Science(15), Catalytic Processes in Materials Science(10), 2D Materials and Applications(9), Spectroscopy and Quantum Chemical Studies(9)

Publications64 total

Self-consistent layer-projected scissors operator for band structures of two-dimensional van der Waals materials with large unit cells
Physical review. B./Physical review. B·2025· 1 cited
WIP: Can specification grading with resubmissions improve the quality of student programming?
2025
Quantum Computation of Electronic Structure with Projector Augmented-Wave Method and Plane Wave Basis Set
Journal of Chemical Theory and Computation·2025· 2 cited
Quantum Computation of Electronic Structure with Projector Augmented-Wave Method and Plane Wave Basis Set
arXiv (Cornell University)·2024Open Access
Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange
Repository for Publications and Research Data (ETH Zurich)·2024· 19 citedOpen Access
Author response for "Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange"
2024
GPAW: An open Python package for electronic structure calculations
The Journal of Chemical Physics·2024· 204 citedOpen Access
Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange
Digital Discovery·2024· 33 citedOpen Access
Chemisorption of gas atoms on one-dimensional transition-metal halides
Applied Surface Science·2023· 3 citedOpen Access
High-Throughput Search for Triplet Point Defects with Narrow Emission Lines in 2D Materials
ACS Nano·2023· 15 cited
GPAW: An open Python package for electronic-structure calculations
arXiv (Cornell University)·2023· 11 citedOpen Access
High-throughput search for triplet point defects with narrow emission lines in 2D materials
arXiv (Cornell University)·2023Open Access
Hundreds of new, stable, one-dimensional materials from a generative machine learning model
Physical Review Materials·2023· 23 cited
Hundreds of new, stable, one-dimensional materials from a generative machine learning model
arXiv (Cornell University)·2022· 1 citedOpen Access
Computational exfoliation of atomically thin one-dimensional materials with application to Majorana bound states
Physical Review Materials·2022· 20 citedOpen Access
Numerical quality control for DFT-based materials databases
npj Computational Materials·2022· 23 citedOpen Access
Computational exfoliation of atomically thin 1D materials with application to Majorana bound states
arXiv (Cornell University)·2022Open Access
Atomic Simulation Recipes: A Python framework and library for automated workflows
Computational Materials Science·2021· 4 citedOpen Access
Atomic Simulation Recipes -- a Python framework and library for\n automated workflows
arXiv (Cornell University)·2021Open Access
Numerical Quality Control for DFT-based Materials Databases
arXiv (Cornell University)·2020· 2 citedOpen Access
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Frequent Co-authors

Kristian S. Thygesen(18), Karsten W. Jacobsen(18), Jens K. Nørskov(10), Bjørk Hammer(8), Ask Hjorth Larsen(7), Thomas Olsen(7), Morten N. Gjerding(7), Jakob Schiøtz(6), Mikkel Strange(6), Jussi Enkovaara(5), Marcin Dułak(4), Michael Walter(4), André K. Kelkkanen(4), J. M. García‐Lastra(4), Mikael Kuisma(4), Asmus Ougaard Dohn(4), Marko Melander(4), Olga Lopez‐Acevedo(4), Tara M. Boland(4), Eric Hermes(3)