Assistant Professor
Publications
Energy landscapes for clusters of hexapeptides.
– The Journal of chemical physics
(2024)
161,
054112
(doi: 10.1063/5.0220652)
Global analysis of energy landscapes for materials modeling: A test case for C60
– Journal of Chemical Physics
(2023)
159,
104107
(doi: 10.1063/5.0167857)
Energy landscapes for proteins described by the UNRES coarse-grained potential.
– Biophysical chemistry
(2023)
303,
107107
(doi: 10.1016/j.bpc.2023.107107)
Exploring energy landscapes for solid-state systems with variable cells at the extended tight-binding level.
– The Journal of chemical physics
(2023)
159,
064801
(doi: 10.1063/5.0159367)
Enhancing Biomolecular Simulations with Hybrid Potentials Incorporating NMR Data.
– Journal of chemical theory and computation
(2022)
18,
7733
(doi: 10.1021/acs.jctc.2c00657)
On the capacity and superposition of minima in neural network loss function landscapes
– Machine Learning Science and Technology
(2022)
3,
025004
(doi: 10.1088/2632-2153/ac64e6)
Characterising the Area Under the Curve Loss Function Landscape
– Machine Learning: Science and Technology
(2022)
3,
015019
(doi: 10.1088/2632-2153/ac49a9)
The alchemical energy landscape for a pentameric cluster
– The Journal of chemical physics
(2020)
152,
014106
(doi: 10.1063/1.5130030)
Morphological analysis of chiral rod clusters from a coarse-grained single-site chiral potential.
– Soft Matter
(2019)
15,
8147
(doi: 10.1039/C9SM01343A)
Morphological analysis of chiral rod clusters from a coarse-grained single-site chiral potential
(2019)
(doi: 10.48550/arxiv.1910.00378)
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