Teaching Fellow
Publications
Global analysis of energy landscapes for materials modeling: A test case for C60
– The Journal of Chemical Physics
(2023)
159,
104107
(doi: 10.1063/5.0167857)
Energy landscapes for proteins described by the UNRES coarse-grained potential.
– Biophys Chem
(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
– 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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