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- Currently displaying 61 - 80 of 692 publications
On the mechanism of polaritonic rate suppression from quantum transition
paths
(2023)
Physics-Inspired Interpretability Of Machine Learning Models
(2023)
Molecular Energy Landscapes of Hardware-Efficient Ansätze in Quantum Computing
Journal of Chemical Theory and Computation
(2023)
19
1197
(doi: 10.1021/acs.jctc.2c01057)
Energy Landscapes for Proteins Described by the Unres Coarse-Grained Potential
(2023)
(doi: 10.2139/ssrn.4479330)
Dynamic Diastereomerism on Chiral Surfaces.
The journal of physical chemistry. C, Nanomaterials and interfaces
(2022)
127
229
(doi: 10.1021/acs.jpcc.2c06351)
Nested sampling for physical scientists (vol 2, 39, 2022)
Nature Reviews Methods Primers
(2022)
2
44
(doi: 10.1038/s43586-022-00138-2)
Stochastic paths controlling speed and dissipation
Physical Review E
(2022)
106
054151
(doi: 10.1103/physreve.106.054151)
Enhancing Biomolecular Simulations with Hybrid Potentials Incorporating NMR Data
J Chem Theory Comput
(2022)
18
7733
(doi: 10.1021/acs.jctc.2c00657)
Exploiting Sequence-Dependent Rotamer Information in Global Optimization of Proteins
Journal of Physical Chemistry B
(2022)
126
8381
(doi: 10.1021/acs.jpcb.2c04647)
Design of self-assembling mesoscopic Goldberg polyhedra.
Nanoscale advances
(2022)
4
4272
(doi: 10.1039/d2na00447j)
Dynamical Signatures of Multifunnel Energy Landscapes.
J Phys Chem Lett
(2022)
13
6349
(doi: 10.1021/acs.jpclett.2c01258)
Exact electronic states with shallow quantum circuits through global optimisation
(2022)
(doi: 10.48550/arxiv.2207.00085)
Evaluating Geometric Definitions of Stacking for RNA DinucleosideMonophosphates Using Molecular Mechanics Calculations
J Chem Theory Comput
(2022)
18
3637
(doi: 10.1021/acs.jctc.2c00178)
Nested sampling for physical scientists
Nature Reviews Methods Primers
(2022)
2
39
(doi: 10.1038/s43586-022-00121-x)
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.
Journal of Physical Chemistry 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: Isolated Molecules, Clusters, Radicals, and Ions; Environmental Chemistry, Geochemistry, and Astrochemistry; Theory
(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
820792
(doi: 10.3389/fmolb.2022.820792)
The Energy Landscape Perspective: Encoding Structure and Function for Biomolecules
Frontiers in Molecular Biosciences
(2022)
9
(doi: 10.17863/CAM.81259)
