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Results: 650
Absence of diagonal force constants in cubic Coulomb crystals.
The quasi-harmonic model proposes that a crystal can be modelled as atoms connected by springs. We demonstrate how this viewpoint can be misleading: a simple application of Gauss's law shows that the ion-ion potential for a...
Enhancing NEMD with automatic shear rate sampling to model viscosity and correction of systematic errors in modeling density
We perform molecular dynamics simulations to model density as a function of temperature for 74 alkanes with 5-10 carbon atoms and non-equilibrium molecular dynamics simulations in the NVT ensemble to model the kinematic...
Tail-regression estimator for heavy-tailed distributions of known tail indices and its application to continuum quantum Monte Carlo data.
Standard statistical analysis is unable to provide reliable confidence intervals on expectation values of probability distributions that do not satisfy the conditions of the central limit theorem. We present a regression-based...
Machine learning to predict mesenchymal stem cell efficacy for cartilage repair.
Inconsistent therapeutic efficacy of mesenchymal stem cells (MSCs) in regenerative medicine has been documented in many clinical trials. Precise prediction on the therapeutic outcome of a MSC therapy based on the patient's...
Machine learning to predict mesenchymal stem cell efficacy for cartilage repair
Inconsistent therapeutic efficacy of mesenchymal stem cells (MSCs) in regenerative medicine has been documented in many clinical trials. Precise prediction on the therapeutic outcome of a MSC therapy based on the patient’s...
Imputation versus prediction
Benedict W J Irwin, Samar Mahmoud, Thomas M Whitehead, Gareth J Conduit, Matthew D Segall
Apr 06, 2020
Imputation is a powerful statistical method that is distinct from the predictive modelling techniques more commonly used in drug discovery. Imputation uses sparse experimental data in an incomplete dataset to predict missing...
Fabrication, Detection, and Operation of a Three-Dimensional Nanomagnetic Conduit.
Dédalo Sanz-Hernández, Ruben F Hamans, Jung-Wei Liao, Alexander Welbourne, Reinoud Lavrijsen, Amalio Fernández-Pacheco
Jun 22, 2018
Three-dimensional (3D) nanomagnetic devices are attracting significant interest due to their potential for computing, sensing, and biological applications. However, their implementation faces great challenges regarding...
Imputation versus prediction
Imputation is a powerful statistical method that is distinct from the predictive modelling techniques more commonly used in drug discovery. Imputation uses sparse experimental data in an incomplete dataset to predict...
Benedict WJ Irwin, Samar Mahmoud, Thomas M Whitehead, Gareth J Conduit, Matthew D Segall
Apr 14, 2020
IPR Policy Brief - Climate change regulation
Regulators’ efforts to shape business responses to climate change centre on the development of CO2 markets. These are designed to deliver significant CO2 emission reductions at the lowest possible cost to industry. However, the...
Published by: University of Bath
IPR Policy Brief - Climate change regulation
Regulators’ efforts to shape business responses to climate change centre on the development of CO2 markets. These are designed to deliver significant CO2 emission reductions at the lowest possible cost to industry. However, the...
Published by: University of Bath
Accelerating the Design of Automotive Catalyst Products Using Machine Learning Leveraging experimental data to guide new formulations
The design of catalyst products to reduce harmful emissions is currently an intensive process of expert-driven discovery, taking several years to develop a product. Machine learning can accelerate this timescale...
Daughter centrioles assemble preferentially towards the nuclear envelope in Drosophila syncytial embryos.
Centrosomes are important organizers of microtubules within animal cells. They comprise a pair of centrioles surrounded by the pericentriolar material, which nucleates and organizes the microtubules. To maintain centrosome...
Daughter centrioles assemble preferentially towards the nuclear envelope in Drosophila syncytial embryos.
Centrosomes are important organizers of microtubules within animal cells. They comprise a pair of centrioles surrounded by the pericentriolar material, which nucleates and organizes the microtubules. To maintain centrosome...
Direct evaluation of the force constant matrix in quantum Monte Carlo.
We develop a formalism to directly evaluate the matrix of force constants within a Quantum Monte Carlo calculation. We utilize the matrix of force constants to accurately relax the positions of atoms in molecules and determine...
Customer Engagement in Sport
Customer engagement (CE) is an emerging perspective that provides a holistic view of the ways in which customers’ interactive experiences with organizations create value for both the parties. Central to this, is the need to...
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