Assistant Professor
Publications
Global analysis of energy landscapes for materials modeling: A test case for C60
J Chem Phys
(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.
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
J Chem Phys
(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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