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- Currently displaying 81 - 100 of 693 publications
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)
Energy Landscapes for Base-Flipping in a Model DNA Duplex
J Phys Chem B
(2022)
126
3012
(doi: 10.1021/acs.jpcb.2c00340)
Energy Landscapes of Carbon Clusters from Tight-Binding Quantum Potentials.
The journal of physical chemistry. A
(2022)
126
2342
(doi: 10.1021/acs.jpca.2c00834)
The Energy Landscape Perspective: Encoding Structure and Function for Biomolecules
Frontiers in Molecular Biosciences
(2022)
9
(doi: 10.3389/fmolb.2022.820792)
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)
The energy landscape perspective: cutting a Gordian knot
(2022)
21
1
Rotational Dynamics of Desorption: Methane and Ethane at Stepped and Kinked Platinum Surfaces
The Journal of Physical Chemistry C: Energy Conversion and Storage, Optical and Electronic Devices, Interfaces, Nanomaterials, and Hard Matter
(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)
Stochastic paths controlling speed and dissipation
(2021)
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
Physical Review E
(2021)
103
063306
(doi: 10.1103/PhysRevE.103.063306)
Side-Chain Polarity Modulates the Intrinsic Conformational Landscape of Model Dipeptides.
J Phys Chem B
(2021)
125
5809
(doi: 10.1021/acs.jpcb.1c02412)
Surface Chirality Influences Molecular Rotation upon Desorption.
Phys Rev Lett
(2021)
126
166101
Crystal structure prediction for benzene using basin-hopping global optimization
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
J Chem Inf Model
(2021)
61
1204
(doi: 10.1021/acs.jcim.0c01292)
