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- Currently displaying 1 - 20 of 612 publications
Author Correction: Nested sampling for physical scientists
– Nature Reviews Methods Primers
(2022)
2,
44
(DOI: 10.1038/s43586-022-00138-2)
Enhancing Biomolecular Simulations with Hybrid Potentials Incorporating NMR Data.
– J Chem Theory Comput
(2022)
(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.
– Journal of Physical Chemistry Letters
(2022)
13,
6349
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)
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.
– The Journal of Physical Chemistry B: Biophysical Chemistry, Biomaterials, Liquids, and Soft Matter
(2022)
126,
3012
(DOI: 10.1021/acs.jpcb.2c00340)
Energy Landscapes of Carbon Clusters from Tight-Binding Quantum Potentials
– Journal of Physical Chemistry A
(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,
(DOI: 10.3389/fmolb.2022.820792)
The Energy Landscape Perspective: Encoding Structure and Function for Biomolecules
– Frontiers in Molecular Biosciences
(2022)
9,
820792
(DOI: 10.3389/fmolb.2022.820792)
Characterising the Area Under the Curve Loss Function Landscape
– Machine Learning: Science and Technology
(2022)
3,
015019
(DOI: 10.1088/2632-2153/ac49a9)
Elucidating the solution structure of the K-means cost function using energy landscape theory
– Journal of Chemical Physics
(2022)
156,
054109
(DOI: 10.1063/5.0078793)
Rotational Dynamics of Desorption: Methane and Ethane at Stepped and Kinked Platinum Surfaces
– The Journal of Physical Chemistry C: Energy Conversion and Storage, Optical and Electronic Devices, Interfaces, Nanomaterials, and Hard Matter
(2021)
125,
27938
(DOI: 10.1021/acs.jpcc.1c09120)
Energy landscapes for a modified repulsive Weeks-Chandler-Andersen potential.
– Journal of Physics: Condensed Matter
(2021)
34,
034004
(DOI: 10.1088/1361-648x/ac2f6d)
The energy landscapes of bidisperse particle assemblies on a sphere
– Soft matter
(2021)
17,
9019
(DOI: 10.1039/d1sm01140e)
Minimal Design Principles for Icosahedral Virus Capsids.
– ACS nano
(2021)
15,
14873
(DOI: 10.1021/acsnano.1c04952)
Numerical analysis of first-passage processes in finite Markov chains exhibiting metastability.
– Phys Rev E
(2021)
104,
015301
(DOI: 10.1103/physreve.104.015301)
Graph transformation and shortest paths algorithms for finite Markov chains
– Physical Review E: Statistical, Nonlinear, and Soft Matter Physics
(2021)
103,
063306
(DOI: 10.1103/physreve.103.063306)
