96 citations · 110 across the 5 of their papers we have counts for
5 papers
Analysis of Chiral Oxirane Molecules in Preparation for Next Generation Telescopes: A Review, New Analysis, & a Chiral Molecule Database
Chenoa D. Tremblay, Roger D. Amos, Rika Kobayashi
Human biology has a preference for left-handed chiral molecules and an outstanding question is if this is imposed through astrophysical origins. We aim to evaluate the known inform…
Reliable density functional and G_0 W_0 approaches to the calculation of bandgaps in 2D materials
Musen Li, Michael J. Ford, Rika Kobayashi +2
Optimizing density-functional theory (DFT) and G0W0 calculations present coupled problems as orbitals from DFT are needed as G0W0 starting points. Applied to 341 two-dimensional (2…
Gather -- a better way to codehack online
Rika Kobayashi, Sarah Jaffa, Jiachen Dong +3
A virtual hands-on computer laboratory has been designed within the Gather online meeting platform. Gather's features such as spatial audio, private spaces and interactable objects…
Accurate prediction of the properties of materials using the CAM-B3LYP Density Functional
Musen Li, Jeffrey R. Reimers, Michael J. Ford +2
Density functionals with asymptotic corrections to the long-range potential provide entry-level methods for calculations on molecules that can sustain charge transfer, but similar…
Density functionals with asymptotic-potential corrections are required for the simulation of spectroscopic properties of materials
Musen Li, Rika Kobayashi, Roger D. Amos +2
Five effects of correction of the asymptotic potential error in density functionals are identified that significantly improve calculated properties of molecular excited states invo…