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  • Currently displaying 21 - 40 of 640 publications
Dynamical Signatures of Multifunnel Energy Landscapes.
DJ Wales
– The journal of physical chemistry letters
(2022)
13,
6349
Exact electronic states with shallow quantum circuits through global optimisation
HGA Burton, D Marti-Dafcik, DP Tew, DJ Wales
(2022)
Evaluating Geometric Definitions of Stacking for RNA DinucleosideMonophosphates Using Molecular Mechanics Calculations
A Taghavi, I Riveros, DJ Wales, I Yildirim
– Journal of Chemical Theory and Computation
(2022)
18,
3637
Nested sampling for physical scientists
G Ashton, N Bernstein, J Buchner, X Chen, G Csányi, A Fowlie, F Feroz, M Griffiths, W Handley, M Habeck, E Higson, M Hobson, A Lasenby, D Parkinson, LB Pártay, M Pitkin, D Schneider, JS Speagle, L South, J Veitch, P Wacker, DJ Wales, D Yallup
– Nature Reviews Methods Primers
(2022)
2,
39
On the capacity and superposition of minima in neural network loss function landscapes
MP Niroomand, JWR Morgan, CT Cafolla, DJ Wales
– Machine Learning: Science and Technology
(2022)
3,
025004
Energy Landscapes for Base-Flipping in a Model DNA Duplex
Nicy, D Chakraborty, DJ Wales
– The journal of physical chemistry. B
(2022)
126,
3012
Energy Landscapes of Carbon Clusters from Tight-Binding Quantum Potentials
D Furman, F Naumkin, DJ Wales
– The Journal of Physical Chemistry A
(2022)
126,
2342
The Energy Landscape Perspective: Encoding Structure and Function for Biomolecules
K Röder, DJ Wales
– Frontiers in Molecular Biosciences
(2022)
9,
The Energy Landscape Perspective: Encoding Structure and Function for Biomolecules
K Röder, DJ Wales
– Frontiers in molecular biosciences
(2022)
9,
820792
Characterising the area under the curve loss function landscape
MP Niroomand, CT Cafolla, JWR Morgan, DJ Wales
– Machine Learning: Science and Technology
(2022)
3,
015019
Elucidating the solution structure of the K-means cost function using energy landscape theory
L Dicks, DJ Wales
– J Chem Phys
(2022)
156,
054109
Rotational Dynamics of Desorption: Methane and Ethane at Stepped and Kinked Platinum Surfaces
SC Matysik, DJ Wales, SJ Jenkins
– Journal of Physical Chemistry C
(2021)
125,
27938
Energy landscapes for a modified repulsive Weeks–Chandler–Andersen potential
A Banerjee, DJ Wales
– Journal of Physics Condensed Matter
(2021)
34,
034004
The energy landscapes of bidisperse particle assemblies on a sphere
AF Ballard, JR Panter, DJ Wales
– Soft matter
(2021)
17,
9019
Minimal Design Principles for Icosahedral Virus Capsids
M Martín-Bravo, JMG Llorente, J Hernández-Rojas, DJ Wales
– ACS nano
(2021)
15,
14873
Numerical analysis of first-passage processes in finite Markov chains exhibiting metastability.
DJ Sharpe, DJ Wales
– Physical review. E
(2021)
104,
015301
Graph transformation and shortest paths algorithms for finite Markov chains.
DJ Sharpe, DJ Wales
– Physical Review E
(2021)
103,
063306
Side-Chain Polarity Modulates the Intrinsic Conformational Landscape of Model Dipeptides
D Chakraborty, A Banerjee, DJ Wales
– The Journal of Physical Chemistry B: Biophysical Chemistry, Biomaterials, Liquids, and Soft Matter
(2021)
125,
5809
Nearly reducible finite Markov chains: Theory and algorithms
DJ Sharpe
(2021)
Surface Chirality Influences Molecular Rotation upon Desorption
SC Matysik, DJ Wales, SJ Jenkins
– Phys Rev Lett
(2021)
126,
166101

RNA pseudoknot reorganisation

3IA Universite Cote d'Azur