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- Currently displaying 61 - 80 of 709 publications
Going for Gold(-Standard): Attaining Coupled Cluster Accuracy in Oxide-Supported Nanoclusters
(2023)
Energy landscapes for proteins described by the UNRES coarse-grained potential.
Biophysical Chemistry
(2023)
303
107107
(doi: 10.1016/j.bpc.2023.107107)
Global analysis of energy landscapes for materials modeling: A test case for C60
Journal of Chemical Physics
(2023)
159
104107
(doi: 10.1063/5.0167857)
Energy landscapes and heat capacity signatures for peptides correlate with phase separation propensity
QRB discovery
(2023)
4
e7
(doi: 10.1017/qrd.2023.5)
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.
Journal of Physical Chemistry Letters
(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)
Evolution of $K$-means solution landscapes with the addition of dataset outliers and a robust clustering comparison measure for their analysis
(2023)
Energy Landscapes and Heat Capacity Signatures for Monomers and Dimers of Amyloid-Forming Hexapeptides.
Int J Mol Sci
(2023)
24
10613
(doi: 10.3390/ijms241310613)
Stable and scalable computation of state visitation probabilities in finite Markov chains
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.
Philos Trans A Math Phys Eng Sci
(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
Journal of chemical theory and computation
(2023)
19
1197
(doi: 10.1021/acs.jctc.2c01057)
