SAMPLE: Surface structure search enabled by coarse graining and statistical learning Publications Computer Physics Communications
Hot-Carrier Dynamics and Chemistry in Dielectric Polymers Publications The Journal of Physical Chemistry Letters
Combining Pseudopotential and All Electron Density Functional Theory for the Efficient Calculation of Core Spectra Using a Multiresolution Approach Publications The Journal of Physical Chemistry A
Tunable internal quantum well alignment in rationally designed oligomer-based perovskite films deposited by resonant infrared matrix-assisted pulsed laser evaporation Publications Material Horizons
Cross-separatrix simulations of turbulent transport in the field-reversed configuration Publications Nuclear Fusion
Helium flux effects on bubble growth and surface morphology in plasma-facing tungsten from large-scale molecular dynamics simulations Publications Nuclear Fusion
Numerical investigation of the effect of airfoil thickness on onset of dynamic stall Publications Journal of Fluid Mechanics