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Systematic Improvement of DMC Calculations in Transition Metal Oxides: sCI-Driven Wavefunction Optimization for Reliable Band Gaps
Shin, Hyeondeok;
Gasperich, Kevin;
Rojas, Tomas;
Ngo, Anh T.;
Krogel, Jaron T.;
Benali, Anouar
Data for: A methodology for robust multislice ptychography
Gilgenbach, Colin;
Chen, Xi;
LeBeau, James M.
Many-Body Enhancement of High-Harmonic Generation in Monolayer MoS2
ChangLee, Victor;
Yue, Lun;
Gaarde, Mette B.;
Chan, Yang-hao;
Qiu, Diana Y.
Analyzed Experimental Data and Molecular Dynamics Data for "Composition-Dependent Dynamics in a Multicomponent Supercooled Liquid Measured with Nanometer Spatial Resolution"
Huang, Shuoyuan;
Annamareddy, Ajay;
Francis, Carter;
Schultz, Lane E.;
Ketkaew, Jittisa;
Ediger, Mark;
Yu, Lian;
Schroers, Jan;
Morgan, Dane;
Voyles, Paul M.
Local structural features elucidate crystallization of complex structures
Martirossyan, Maya M.;
Spellings, Matthew;
Pan, Hillary;
Dshemuchadse, Julia
Dataset for "A new generation of effective core potentials: selected lanthanides and heavy elements"
Zhou, Haihan;
Kincaid, Benjamin E.;
Wang, Guangming;
Annaberdiyev, Abdulgani;
Ganesh, Panchapakesan;
Mitas, Lubos
Dataset for the article "Enhanced Twist-Averaging Technique for Magnetic Metals: Applications using Quantum Monte Carlo".
Annaberdiyev, Abdulgani;
Ganesh, Panchapakesan;
Krogel, Jaron T.
Micromagnetic simulation training data for skyrmion detection in Lorentz TEM
Phatak, Charudatta;
McCray, Arthur;
Bender, Alec;
Petford-Long, Amanda
The Paraquinone + H2 → Hydroquinone Reaction: A Challenge for Diffusion Monte Carlo Calculations
Mauger, Nastasia;
Jordan, Kenneth D.;
Benali, Anouar
Organizations:
MDF Open
Center for Predictive Simulation of Functional Materials
DOI: 10.18126/13xf-0nxn
Year: 2024
The role of electron correlations in the electronic structure of putative Chern magnet TbMn6Sn6 using correlated methods
Annaberdiyev, Abdulgani;
Mitas, Lubos;
Krogel, Jaron T.;
Ganesh, Panchapakesan