5 citations · 7 across the 4 of their papers we have counts for
4 papers
Exploring electron transport in carbon wire systems using a wave function-based multiconfigurational non-equilibrium Green's function approach
Pranesh Raghavendran, Gabriela E. Campbell, Erik P. Hoy +1
One-dimensional carbon wire materials are an interesting class of materials which have potentially useful applications in sub-nanoscale junction technology due to their unique quan…
Self-Assembled Fatty Acid Crystalline Coatings Display Non-Toxic Superhydrophobic Antimicrobial Properties
Elena Prudnikov, Iryna Polishchuk, Andy Sand +4
Superhydrophobcity is a well-known wetting phenomenon found in numerous plants and insects. It is achieved by the combination of the surfaces chemical properties and its surface ro…
A multiconfigurational pair-density functional theory approach to molecular junctions
Andrew M. Sand, Justin T. Malme, Erik P. Hoy
Due to their small size and unique properties, single-molecule electronics have long seen research interest from experimentalists and theoreticians alike. From a theoretical standp…
Analytic Gradients for Complete Active Space Pair-Density Functional Theory
Andrew M. Sand, Chad. E. Hoyer, Kamal Sharkas +4
Analytic gradient routines are a desirable feature for quantum mechanical methods, allowing for efficient determination of equilibrium and transition state structures and several o…