Eric B. Isaacs

activity

20132023

most citedPerformance of the strongly constrained and appropriately normed density functional for solid-state materials

185 citations · 425 across the 13 of their papers we have counts for

collaborators

Showing 2022Show all

2 papers · 1 filter

cond-mat.mtrl-sci2022★ 4 cited

Testing the r $^{2}$ SCAN density functional for the thermodynamic stability of solids with and without a van der Waals correction

Manish Kothakonda, Aaron D. Kaplan, Eric B. Isaacs +6

A central aim of materials discovery is an accurate and numerically reliable description of thermodynamic properties, such as the enthalpies of formation and decomposition. The r$^…

cond-mat.mtrl-sci2022

Assessing the accuracy of compound formation energies with quantum Monte Carlo

Eric B. Isaacs, Hyeondeok Shin, Abdulgani Annaberdiyev +4

Accurately predicting the formation energy of a compound, which describes its thermodynamic stability, is a key challenge in materials physics. Here, we employ many-body quantum Mo…

Testing the r2SCAN density functional for the thermodynamic stability of solids with and without a van der Waals correction

Assessing the accuracy of compound formation energies with quantum Monte Carlo

Testing the r $^{2}$ SCAN density functional for the thermodynamic stability of solids with and without a van der Waals correction