We use the power of Blue Waters (BWs) to perform high accuracy and challenging calculations of the electronic structure of water adsorbed on hexagonal Boron Nitride (h-BN). An accurate theoretical determination of the h-BN-water potential energy surface will not only establish the foundations of h-BN-water interactions, but will also pave way for revolutionary advances in BN based applications in energy, medicine and water purification. Our diffusion Monte Carlo (DMC) calculations show a strong h-BN-water interaction, indicating h-BN surface is more hydrophilic than previously believed. Also, using BWs, we find that a single-layer MoS2 is an attractive material for DNA detection with high signal to noise ratio (SNR). For the first time, we introduce the Mechano-Sensitive (MS) channel for DNA sequencing. MS channel is able to produce two distinguishable tension and ionic current signal, making it an attractive pore for DNA sequencing technology.
