Tootfinder

Equation of State and First Principles Prediction of the Vibrational Matrix Shift of Solid Parahydrogen
Alexander Ibrahim, Lecheng Wang, Tom Halverson, Robert J Le Roy, Pierre-Nicholas Roy
https://arxiv.org/abs/2506.01294

Equation of State and First Principles Prediction of the Vibrational Matrix Shift of Solid Parahydrogen
We generate the equation of state (EOS) of solid parahydrogen using a path-integral Monte Carlo (PIMC) simulation based on a highly accurate first-principles adiabatic hindered rotor (AHR) potential energy curve for the \para dimer. The EOS curves for the fcc and hcp structures of solid parahydrogen near the equilibrium density show that the hcp structure is the more stable of the two, in agreement with experiment. To accurately reproduce the structural and energy properties of solid parahydrog…

Uncertainty-Aware Genomic Classification of Alzheimer's Disease: A Transformer-Based Ensemble Approach with Monte Carlo Dropout
Taeho Jo, Eun Hye Lee, Alzheimer's Disease Sequencing Project
https://arxiv.org/abs/2506.00662

Uncertainty-Aware Genomic Classification of Alzheimer's Disease: A Transformer-Based Ensemble Approach with Monte Carlo Dropout
INTRODUCTION: Alzheimer's disease (AD) is genetically complex, complicating robust classification from genomic data. METHODS: We developed a transformer-based ensemble model (TrUE-Net) using Monte Carlo Dropout for uncertainty estimation in AD classification from whole-genome sequencing (WGS). We combined a transformer that preserves single-nucleotide polymorphism (SNP) sequence structure with a concurrent random forest using flattened genotypes. An uncertainty threshold separated samples into …

This https://arxiv.org/abs/2505.22433 has been replaced.
initial toot: https://mastoxiv.page/@a…

Enantiosensitive locking of photoelectron spin and cation orientation
When electrons pass through chiral molecules, their transmission is strongly influenced by the orientation of their spin: molecules with opposite handedness preferentially transmit electrons with oppositely aligned spins. The underlying nature of this striking phenomenon, known as chirality-induced spin selectivity (CISS), remains controversial: its observed strength far surpasses predictions based on the typically weak spin-orbit interaction. A significant fraction of CISS phenomena are driven…