Martin Callsen

Materials Science · Physical Sciences

13h-index734citations29works0.02yr avg
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Research Topics

Graphene research and applications(8), Molecular Junctions and Nanostructures(7), 2D Materials and Applications(5), Machine Learning in Materials Science(5), Electronic and Structural Properties of Oxides(5)

Publications29 total

Dynamically training machine-learning-based force fields for strongly anharmonic materials
ArXiv.org·2026Open Access
Dynamically training machine-learning-based force fields for strongly anharmonic materials
arXiv (Cornell University)·2026Open Access
How to verify the precision of density-functional-theory implementations via reproducible and universal workflows
Nature Reviews Physics·2023· 64 citedOpen Access
Water binding and hygroscopicity in π-conjugated polyelectrolytes
Nature Communications·2023· 11 citedOpen Access
How to verify the precision of density-functional-theory implementations via reproducible and universal workflows
arXiv (Cornell University)·2023· 5 citedOpen Access
Structural Reconstruction Modulated Physical Properties of Titanium Oxide at the Monolayer Limit
The Journal of Physical Chemistry C·2023· 2 citedOpen Access
Bulk ion-clustering and surface ion-layering effects on work function of self-compensated charged-doped polymer semiconductors
Materials Horizons·2019· 12 cited
Spectator cation size effect on the work function and stability of self-compensated hole-doped polymers
Journal of Materials Chemistry C·2019· 11 cited
The World University Service of Canada (WUSC)
2019· 1 cited
Ultrathin Transition Metal Oxide: Atomically Thin 2D Transition Metal Oxides: Structural Reconstruction, Interaction with Substrates, and Potential Applications (Adv. Mater. Interfaces 1/2019)
Advanced Materials Interfaces·2019· 1 citedOpen Access
Atomically Thin 2D Transition Metal Oxides: Structural Reconstruction, Interaction with Substrates, and Potential Applications
Advanced Materials Interfaces·2018· 154 cited
Tuning Contact Barrier Height between Metals and MoS<sub>2</sub> Monolayer through Interface Engineering
Advanced Materials Interfaces·2017· 21 cited
Erratum: Assessing the accuracy of the van der Waals density functionals for rare-gas and small molecular systems [Phys. Rev. B <b>91</b>, 195103 (2015)]
Physical review. B./Physical review. B·2017· 2 citedOpen Access
The Solvation Structure of Lithium Ions in an Ether Based Electrolyte Solution from First-Principles Molecular Dynamics
The Journal of Physical Chemistry·2017
The Solvation Structure of Lithium Ions in an Ether Based Electrolyte Solution from First-Principles Molecular Dynamics
The Journal of Physical Chemistry B·2016· 56 cited
The stability of aluminium oxide monolayer and its interface with two-dimensional materials
Scientific Reports·2016· 96 citedOpen Access
Interfacial Interaction between HfO<sub>2</sub> and MoS<sub>2</sub>: From Thin Films to Monolayer
The Journal of Physical Chemistry C·2016· 33 cited
On the pseudopotential approximation in the van der Waals density functional calculations
Bulletin of the American Physical Society·2016
Assessing the accuracy of the van der Waals density functionals for rare-gas and small molecular systems
Physical Review B·2015· 47 cited
Graphene stabilized high-κ dielectric Y<sub>2</sub>O<sub>3</sub> (111) monolayers and their interfacial properties
RSC Advances·2015· 17 cited
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Frequent Co-authors

Stefan Blügel(11), Vasile Caciuc(8), Nicolae Atodiresei(8), Jun Zhou(7), Yuan Ping Feng(7), Shijie Wang(7), Ming Yang(7), Tong Yang(6), Jian Chai(5), Ikutaro Hamada(5), Predrag Lazić(5), Ting Song(4), Ji Sheng Pan(3), Dong Zhi(3), Mervin Chun‐Yi Ang(3), Cindy G. Tang(3), Qi‐Mian Koh(3), Rui‐Qi Png(3), Lay‐Lay Chua(3), Zheng Zhang(2)