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  • Currently displaying 21 - 40 of 653 publications
Physics Inspired Approaches To Understanding Gaussian Processes
MP Niroomand, L Dicks, EO Pyzer-Knapp, DJ Wales
(2023)
Energy landscapes and heat capacity signatures for peptides correlate with phase separation propensity
Nicy, J Joseph, R Collepardo-Guevara, D Wales
(2023)
On the mechanism of polaritonic rate suppression from quantum transition paths
MC Anderson, EJ Woods, TP Fay, DJ Wales, DT Limmer
(2023)
Physics-Inspired Interpretability Of Machine Learning Models
MP Niroomand, DJ Wales
(2023)
Molecular Energy Landscapes of Hardware-Efficient Ansätze in Quantum Computing.
B Choy, DJ Wales
– Journal of chemical theory and computation
(2023)
19,
1197
Dynamic Diastereomerism on Chiral Surfaces
SC Matysik, DJ Wales, SJ Jenkins
– J Phys Chem C Nanomater Interfaces
(2022)
127,
229
Nested sampling for physical scientists (vol 2, 39, 2022)
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,
44
Stochastic paths controlling speed and dissipation.
RA Bone, DJ Sharpe, DJ Wales, JR Green
– Physical Review E
(2022)
106,
054151
Enhancing Biomolecular Simulations with Hybrid Potentials Incorporating NMR Data
G Qi, MD Vrettas, C Biancaniello, M Sanz-Hernandez, CT Cafolla, JWR Morgan, Y Wang, A De Simone, DJ Wales
– Journal of chemical theory and computation
(2022)
18,
7733
Exploiting Sequence-Dependent Rotamer Information in Global Optimization of Proteins.
L Dicks, DJ Wales
– Journal of Physical Chemistry B
(2022)
126,
8381
Design of self-assembling mesoscopic Goldberg polyhedra
I Horvath, DJ Wales, SN Fejer
– Nanoscale Adv
(2022)
4,
4272
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 Dinucleoside Monophosphates 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
– 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
– Front Mol Biosci
(2022)
9,
820792

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