3 papers
cond-mat.mtrl-sci2026
Comparative study of ensemble-based uncertainty quantification methods for neural network interatomic potentials
Yonatan Kurniawan, Mingjian Wen, Ellad B. Tadmor +1
Machine learning interatomic potentials (MLIPs) enable atomistic simulations with near first-principles accuracy at substantially reduced computational cost, making them powerful t…
math.OC2025
Mathematical Analysis and Modeling of Ebola Virus Dynamics via Optimal Control and Neural Network Paradigms
Noor Muhammad, Md. Nur Alam, Zhang Shiqing
Ebola virus disease is a severe hemorrhagic fever with rapid transmission through infected fluids and surfaces. We develop a fractional-order model using Caputo derivatives to capt…
q-bio.BM2025
Selective profiling of non-canonical nucleic acid structures via size-discriminative supramolecular probes
Runyu Shi, Dan Huang, Yanxi Wang +5
Nucleic acids can form diverse non-canonical structures, such as G-quadruplexes (G4s) and i-motifs (iMs), which are critical in biological processes and disease pathways. This stud…