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- Currently displaying 41 - 60 of 689 publications
Exploring energy landscapes for solid-state systems with variable cells at the extended tight-binding level.
The Journal of chemical physics
(2023)
159
064801
(doi: 10.1063/5.0159367)
Exact electronic states with shallow quantum circuits from global optimisation
Npj Quantum Information
(2023)
9
75
(doi: 10.1038/s41534-023-00744-2)
On the Mechanism of Polaritonic Rate Suppression from Quantum Transition Paths.
J Phys Chem Lett
(2023)
14
6888
(doi: 10.1021/acs.jpclett.3c01188)
Triplet-Encoded Prebiotic RNA Aminoacylation
Journal of the American Chemical Society
(2023)
145
15971
(doi: 10.1021/jacs.3c03931)
Energy Landscapes and Heat Capacity Signatures for Monomers and Dimers of Amyloid-Forming Hexapeptides.
International journal of molecular sciences
(2023)
24
10613
(doi: 10.3390/ijms241310613)
Evolution of $K$-means solution landscapes with the addition of dataset
outliers and a robust clustering comparison measure for their analysis
(2023)
Stable and scalable computation of state visitation probabilities in finite Markov chains
The Journal of chemical physics
(2023)
158
211103
(doi: 10.1063/5.0154772)
Archetypal solution spaces for clustering gene expression datasets in
identification of cancer subtypes
(2023)
Analysing ill-conditioned Markov chains
Philosophical Transactions of the Royal Society A Mathematical Physical and Engineering Sciences
(2023)
381
20220245
(doi: 10.1098/rsta.2022.0245)
Energy landscapes and heat capacity signatures for monomers and dimers of amyloid forming hexapeptides
(2023)
(doi: 10.1101/2023.05.17.541223)
Physics Inspired Approaches To Understanding Gaussian Processes
(2023)
Energy landscapes and heat capacity signatures for peptides correlate with phase separation propensity
(2023)
(doi: 10.1101/2023.05.05.539523)
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.
J Chem Theory Comput
(2023)
19
1197
(doi: 10.1021/acs.jctc.2c01057)
Dynamic Diastereomerism on Chiral Surfaces
The journal of physical chemistry. C, Nanomaterials and interfaces
(2022)
127
229
(doi: 10.1021/acs.jpcc.2c06351)
Author Correction: Nested sampling for physical scientists
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
Journal of Chemical Theory and Computation
(2022)
18
7733
(doi: 10.1021/acs.jctc.2c00657)
Exploiting Sequence-Dependent Rotamer Information in Global Optimization of Proteins br
J Phys Chem B
(2022)
126
8381
(doi: 10.1021/acs.jpcb.2c04647)
