NOTE: Your search results are limited. Logging in can improve search
results by displaying private results if you have permissions associated
with your account.
Search Results
Dataset for Towards Quantum Monte Carlo Forces on Heavier Ions: Scaling Properties
Tiihonen, Juha;
Clay III, Raymond C.;
Krogel, Jaron T.
Accelerating Auxiliary-Field Quantum Monte Carlo Simulations of Solids with Graphical Processing Units
Malone, Fionn D.;
Zhang, Shuai;
Morales, Miguel A.
Dataset for Doping a bad metal: Origin of suppression of the metal-insulator transition in nonstoichiometric VO2
Ganesh, P.;
Lechermann, Frank;
Kylanpaa, Ilkka;
Krogel, Jaron T.;
Kent, Paul R. C.;
Heinonen, Olle
Dataset for "Utilizing Essential Symmetry Breaking in Auxiliary-Field Quantum Monte Carlo: Application to the Spin Gaps of the C36 Fullerene and an Iron Porphyrin Model Complex"
Lee, Joonho;
Malone, Fionn D;
Morales, Miguel A
Dataset for Compton profile of VO2 across the metal-insulator transition: evidence of a non-Fermi liquid metal
Kylanpaa, Ilkka;
Luo, Ye;
Heinonen, Olle;
Kent, Paul;
Krogel, Jaron
Dataset for A Variational Approach to Optical Band Gaps
Zhao, Luning;
Neuscamman, Eric
QMC Data sets for Benchmarks and Reliable DFT Results for Spin Gaps of Small Ligand Fe(II) Complexes
Song, Suhwan;
Kim, Min-Cheol;
Sim, Eunji;
Benali, Anouar;
Heinonen, Olle;
Burke, Kieron
Dataset for "Quantum Monte Carlo calculations of catalytic energy barriers in a metallorganic framework with transition-metal functionalized nodes"
Benali, Anouar;
Luo, Ye;
Shin, Hyeondeok;
Pahls, Dale;
Heinonen, Olle
Dataset for Zirconia and hafnia polymorphs -- ground state structural properties from diffusion Monte Carlo
Shin, Hyeondeok;
Benali, Anouar;
Luo, Ye;
Crabb, Emily;
Lopez-Bezanilla, Alejandro;
Ratcliff, Laura E.;
Jokisaari, Andrea M.;
Heinonen, Olle
Dataset for Nanoscale Control of Oxygen Defects and Metal−Insulator Transition in Epitaxial Vanadium Dioxides
Sharma, Yogesh;
Balachandran, Janakiraman;
Sohn, Changhee;
Krogel, Jaron T.;
Ganesh, Panchapakesan;
Collins, Liam;
Ievlev, Anton V.;
Li, Qian;
Gao, Xiang;
Balke, Nina;
Ovchinnikova, Olga S.;
Kalinin, Sergei V.;
Heinonen, Olle;
Lee, Ho Nyung