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- Currently displaying 61 - 80 of 695 publications
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.
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: Energy Conversion and Storage, Optical and Electronic Devices, Interfaces, Nanomaterials, and Hard Matter
(2022)
127
229
(doi: 10.1021/acs.jpcc.2c06351)
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
J Phys Chem 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)
Nested sampling for physical scientists (vol 2, 39, 2022)
Nature Reviews Methods Primers
(2022)
2
44
(doi: 10.1038/s43586-022-00138-2)
Evaluating Geometric Definitions of Stacking for RNA Dinucleoside Monophosphates Using Molecular Mechanics Calculations
Journal of Chemical Theory and Computation
(2022)
18
3637
(doi: 10.1021/acs.jctc.2c00178)
