323 citations · 386 across the 2 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2017★ 63 cited
Recovering the flat-plane condition in electronic structure theory at semi-local DFT cost
Akash Bajaj, Jon Paul Janet, Heather J. Kulik
The flat plane condition is the union of two exact constraints in electronic structure theory: i) energetic piecewise linearity with fractional electron removal or addition and ii)…
cond-mat.mtrl-sci2017★ 323 cited
Resolving transition metal chemical space: feature selection for machine learning and structure-property relationships
Jon Paul Janet, Heather J. Kulik
Machine learning (ML) of quantum mechanical properties shows promise for accelerating chemical discovery. For transition metal chemistry where accurate calculations are computation…