Researcher profile

David Rodney

David Rodney contributes to research discovery and scholarly infrastructure.

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Published work

3 published item(s)

preprint2026arXiv

A Practical Noise2Noise Denoising Pipeline for High-Throughput Raman Spectroscopy

A lightweight and reproducible denoising pipeline for high-throughput Raman spectroscopy is presented. The approach relies on a one-dimensional convolutional autoencoder trained using a Noise2Noise strategy, requiring neither external spectral libraries nor high signal-to-noise reference spectra for training. From a reduced training subset composed of repeated short-exposure acquisitions, the model learns to reconstruct Raman spectra while efficiently suppressing stochastic noise. The method is evaluated on a heterogeneous mineral sample, using both quantitative spectral fidelity metrics (RMSE, SNR, SSIM) and task-oriented criteria based on unsupervised K-means classification. Results demonstrate that integration times as short as 5 ms per spectrum, which are typically insufficient for reliable interpretation, yield denoised spectra with high fidelity to the reference data while preserving chemically coherent maps. This work provides a practical trade-off between spectral quality and acquisition speed, enabling fast, adaptable Raman workflows compatible with routine laboratory use. It also offers a transferable framework for other one-dimensional spectroscopic modalities.

preprint2019arXiv

Nonaffine lattice dynamics with the Ewald method reveals strongly nonaffine elasticity of α-quartz

A lattice dynamical formalism based on nonaffine response theory is derived for non-centrosymmetric crystals, accounting for long-range interatomic interactions using the Ewald method. The framework takes equilibrated static configurations as input to compute the elastic constants in excellent agreement with both experimental data and calculations under strain. Besides this methodological improvement, which enables faster evaluation of elastic constants without the need of explicitly simulating the deformation process, the framework provides insights into the nonaffine contribution to the elastic constants of α-quartz. It turns out that, due to the non-centrosymmetric lattice structure, the nonaffine (softening) correction to the elastic constants is very large, such that the overall elastic constants are at least 3-4 times smaller than the affine Born-Huang estimat

preprint2019arXiv

Statistical Topology of Bond Networks with Applications to Silica

Whereas knowledge of a crystalline material's unit cell is fundamental to understanding the material's properties and behavior, there are not obvious analogues to unit cells for disordered materials despite the frequent existence of considerable medium-range order. This article views a material's structure as a collection of local atomic environments that are sampled from some underlying probability distribution of such environments, with the advantage of offering a unified description of both ordered and disordered materials. Crystalline materials can then be regarded as special cases where the underlying probability distribution is highly concentrated around the traditional unit cell. Four descriptors of local atomic environments suitable for disordered bond networks are proposed and applied to molecular dynamics simulations of silica glasses. Each of them reliably distinguishes the structure of glasses produced at different cooling rates, with the $H_1$ barcode and coordination profile providing the best separation.