13 citations · 13 across the 3 of their papers we have counts for
3 papers
Regularization via f-Divergence: An Application to Multi-Oxide Spectroscopic Analysis
Weizhi Li, Natalie Klein, Brendan Gifford +3
In this paper, we address the task of characterizing the chemical composition of planetary surfaces using convolutional neural networks (CNNs). Specifically, we seek to predict the…
Thermodynamic Transferability in Coarse-Grained Force Fields using Graph Neural Networks
Emily Shinkle, Aleksandra Pachalieva, Riti Bahl +4
Coarse-graining is a molecular modeling technique in which an atomistic system is represented in a simplified fashion that retains the most significant system features that contrib…
Singlet Fission in Chiral Carbon Nanotubes: Density Functional Theory Based Computation
Andrei Kryjevski, Deyan Mihaylov, Brendan Gifford +1
Singlet fission (SF) process, where a singlet exciton decays into a pair of spin one exciton states which are in the total spin singlet state, is one of the possible channels for m…