Detalhe da pesquisa
1.
Machine-Learning Guided Quantum Chemical and Molecular Dynamics Calculations to Design Novel Hole-Conducting Organic Materials.
J Phys Chem A;
124(40): 8330-8340, 2020 Oct 08.
Artigo
em Inglês
| MEDLINE
| ID: mdl-32940470
2.
Assessing the frontier: Active learning, model accuracy, and multi-objective candidate discovery and optimization.
J Chem Phys;
153(2): 024112, 2020 Jul 14.
Artigo
em Inglês
| MEDLINE
| ID: mdl-32668927
3.
Single-Crystal Automated Refinement (SCAR): A Data-Driven Method for Determining Inorganic Structures.
Inorg Chem;
58(14): 9004-9015, 2019 Jul 15.
Artigo
em Inglês
| MEDLINE
| ID: mdl-31267739
4.
Unsupervised Data Mining in nanoscale X-ray Spectro-Microscopic Study of NdFeB Magnet.
Sci Rep;
6: 34406, 2016 Sep 29.
Artigo
em Inglês
| MEDLINE
| ID: mdl-27680388