Tips on using this search form
- All search terms are case-insensitive
- If you specify more than one search option (e.g. you search for both "Authors" and "Paper title") then the publications returned will be those that match all of your search terms
- To reset the search form, click here
- Currently displaying 41 - 60 of 655 publications
Characterising the area under the curve loss function landscape
– Machine Learning: Science and Technology
(2022)
3,
015019
(doi: 10.1088/2632-2153/ac49a9)
Elucidating the solution structure of the K-means cost function using energy landscape theory
– The Journal of chemical physics
(2022)
156,
054109
(doi: 10.1063/5.0078793)
Rotational Dynamics of Desorption: Methane and Ethane at Stepped and Kinked Platinum Surfaces
– Journal of Physical Chemistry C
(2021)
125,
27938
(doi: 10.1021/acs.jpcc.1c09120)
Energy landscapes for a modified repulsive Weeks-Chandler-Andersen potential.
– Journal of Physics Condensed Matter
(2021)
34,
034004
(doi: 10.1088/1361-648X/ac2f6d)
The energy landscapes of bidisperse particle assemblies on a sphere
– Soft Matter
(2021)
17,
9019
(doi: 10.1039/d1sm01140e)
Minimal Design Principles for Icosahedral Virus Capsids
– ACS Nano
(2021)
15,
14873
(doi: 10.1021/acsnano.1c04952)
Numerical analysis of first-passage processes in finite Markov chains exhibiting metastability
– Physical review. E
(2021)
104,
015301
(doi: 10.1103/PhysRevE.104.015301)
Graph transformation and shortest paths algorithms for finite Markov chains.
– Phys Rev E
(2021)
103,
063306
(doi: 10.1103/PhysRevE.103.063306)
Side-Chain Polarity Modulates the Intrinsic Conformational Landscape of Model Dipeptides
– Journal of Physical Chemistry B
(2021)
125,
5809
(doi: 10.1021/acs.jpcb.1c02412)
Surface Chirality Influences Molecular Rotation upon Desorption
– Physical review letters
(2021)
126,
166101
Crystal Structure Prediction for Benzene Using Basin-Hopping Global Optimization
– The Journal of Physical Chemistry A
(2021)
125,
3776
(doi: 10.1021/acs.jpca.1c00903)
Development of ReaxFF Reactive Force Field for Aqueous Iron-Sulfur Clusters with Applications to Stability and Reactivity in Water
– Journal of chemical information and modeling
(2021)
61,
1204
(doi: 10.1021/acs.jcim.0c01292)
Energy Landscapes for Electronic Structure.
– J Chem Theory Comput
(2020)
17,
151
(doi: 10.1021/acs.jctc.0c00772)
Optimal dimensionality reduction of Markov chains using graph transformation.
– The Journal of Chemical Physics
(2020)
153,
244108
(doi: 10.1063/5.0025174)
Systematic Evaluation of ReaxFF Reactive Force Fields for Biochemical Applications
– J Chem Theory Comput
(2020)
17,
497
(doi: 10.1021/acs.jctc.0c01043)
Rare events and first passage time statistics from the energy landscape
– J Chem Phys
(2020)
153,
134115
(doi: 10.1063/5.0016244)
Energy Landscape for the Membrane Fusion Pathway in Influenza A Hemagglutinin From Discrete Path Sampling
– Frontiers in chemistry
(2020)
8,
575195
(doi: 10.3389/fchem.2020.575195)
Fragility and correlated dynamics in supercooled liquids
– J Chem Phys
(2020)
153,
124501
(doi: 10.1063/5.0015091)
