Marco Krummenacher

Physics and Astronomy · Physical Sciences

3h-index42citations18works1.72yr avg
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Research Topics

Advanced Chemical Physics Studies(8), Machine Learning in Materials Science(7), Protein Structure and Dynamics(3), Advanced Polymer Synthesis and Characterization(3), Polymer Surface Interaction Studies(3)

Publications18 total

The transformation mechanisms among cuboctahedra, Ino's decahedra and icosahedra structures of magic-size gold nanoclusters
ArXiv.org·2026Open Access
The transformation mechanisms among cuboctahedra, Ino's decahedra and icosahedra structures of magic-size gold nanoclusters
arXiv (Cornell University)·2026Open Access
Accelerating Variable Cell Shape Molecular Dynamics with a Position-Dependent Mass Matrix
Journal of Chemical Theory and Computation·2025Open Access
Implications of the multi-minima character of molecular crystal phases onto the free energy
arXiv (Cornell University)·2025Open Access
Entropic stabilization of a structurally tolerant phase: The ionic phase of lithium alanate
Research Square (Research Square)·2024Open Access
Corrigendum to performing highly efficient minima hopping structure predictions using the Atomic Simulation Environment (ASE) [SoftwareX 25 (2024) 101632]
SoftwareX·2024Open Access
Performing highly efficient Minima Hopping structure predictions using the Atomic Simulation Environment (ASE)
SoftwareX·2024· 12 citedOpen Access
The ternary phase diagram of nitrogen doped lutetium hydrides can not explain its claimed high T<sub>c</sub> superconductivity
New Journal of Physics·2023· 2 citedOpen Access
Performing highly efficient Minima Hopping structure predictions using the Atomic Simulation Environment (ASE)
arXiv (Cornell University)·2023Open Access
Efficient variable cell shape geometry optimization
Journal of Computational Physics X·2023· 5 citedOpen Access
Ternary Phase Diagram of Nitrogen Doped Lutetium Hydrides
arXiv (Cornell University)·2023· 3 citedOpen Access
10.1063/5.0108479.1
Default Digital Object Group·2022
10.1063/5.0108479.2
Default Digital Object Group·2022
Response to “Comment on ‘Manifolds of quasi-constant SOAP and ACSF fingerprints and the resulting failure to machine learn four-body interactions’” [J. Chem. Phys. 156, 034302 (2022)]
The Journal of Chemical Physics·2022· 2 citedOpen Access
Self-assembly and complex formation of amphiphilic star and bottle-brush block copolymers
The Journal of Chemical Physics·2022· 3 cited
Efficient variable cell shape geometry optimization
arXiv (Cornell University)·2022· 2 citedOpen Access
Coarse Grained Molecular Dynamics of Macromolecule under Shockwave
The Proceedings of Mechanical Engineering Congress Japan·2020Open Access
Finding Reaction Pathways with Optimal Atomic Index Mappings
Physical Review Letters·2019· 13 citedOpen Access

Frequent Co-authors

Stefan Goedecker(12), Jonas A. Finkler(7), Hannes Huber(6), Martin Sommer-Jörgensen(5), Moritz Gubler(5), Martin O. Steinhauser(4), Moritz Gubler(3), Ehsan Rahmatizad Khajehpasha(3), Mohammad Ismaeil Safa(2), Nasrin Eyvazi(2), Stefan Goedecker(2), Deb Sankar De(1), Bastian Schaefer(1), Behnam Parsaeifard(1), José A. Flores‐Livas(1), Ömer Tayfuroğlu(1), Akira Tsukamoto(1), Giuseppe Fisicaro(1)