Detalhe da pesquisa
1.
High-Throughput DFT-Based Discovery of Next Generation Two-Dimensional (2D) Superconductors.
Nano Lett
; 23(3): 969-978, 2023 Feb 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-36715314
2.
MPpredictor: An Artificial Intelligence-Driven Web Tool for Composition-Based Material Property Prediction.
J Chem Inf Model
; 63(7): 1865-1871, 2023 04 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-36972592
3.
Uncertainty Quantification in Atomistic Modeling of Metals and Its Effect on Mesoscale and Continuum Modeling: A Review.
JOM (1989)
; 732021.
Artigo
em Inglês
| MEDLINE | ID: mdl-34511862
4.
Convergence and machine learning predictions of Monkhorst-Pack k-points and plane-wave cut-off in high-throughput DFT calculations.
Comput Mater Sci
; 1612019.
Artigo
em Inglês
| MEDLINE | ID: mdl-32165790
5.
Atom Probe Tomography Analysis of Ag Doping in 2D Layered Material (PbSe)5(Bi2Se3)3.
Nano Lett
; 16(10): 6064-6069, 2016 10 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-27603879
6.
Systematic DFT+U and Quantum Monte Carlo Benchmark of Magnetic Two-Dimensional (2D) CrX3 (X = I, Br, Cl, F).
J Phys Chem C Nanomater Interfaces
; 127(2)2023.
Artigo
em Inglês
| MEDLINE | ID: mdl-36727030
7.
Computational Methods for Charge Density Waves in 2D Materials.
Nanomaterials (Basel)
; 12(3)2022 Feb 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-35159849
8.
Uncertainty Prediction for Machine Learning Models of Material Properties.
ACS Omega
; 6(48): 32431-32440, 2021 Dec 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-34901594
9.
Cross-property deep transfer learning framework for enhanced predictive analytics on small materials data.
Nat Commun
; 12(1): 6595, 2021 11 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-34782631
10.
Examining Experimental Raman Mode Behavior in Mono- and Bilayer 2H-TaSe2 via Density Functional Theory: Implications for Quantum Information Science.
ACS Appl Nano Mater
; 4(2)2021.
Artigo
em Inglês
| MEDLINE | ID: mdl-34250452
11.
Computational scanning tunneling microscope image database.
Sci Data
; 8(1): 57, 2021 Feb 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-33574307
12.
Data-driven discovery of 3D and 2D thermoelectric materials.
J Phys Condens Matter
; 32(47): 475501, 2020 Jun 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-32590376
13.
Author Correction: Enhancing materials property prediction by leveraging computational and experimental data using deep transfer learning.
Nat Commun
; 11(1): 3643, 2020 Jul 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-32669549
14.
High-throughput Discovery of Topologically Non-trivial Materials using Spin-orbit Spillage.
Sci Rep
; 9(1): 8534, 2019 Jun 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-31189899
15.
Accelerated Discovery of Efficient Solar-cell Materials using Quantum and Machine-learning Methods.
Chem Mater
; 31(15)2019.
Artigo
em Inglês
| MEDLINE | ID: mdl-32165788
16.
Enhancing materials property prediction by leveraging computational and experimental data using deep transfer learning.
Nat Commun
; 10(1): 5316, 2019 11 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-31757948
17.
Phonon origin and lattice evolution in charge density wave states.
Phys Rev B
; 992019.
Artigo
em Inglês
| MEDLINE | ID: mdl-31579258
18.
Materials Science in the AI age: high-throughput library generation, machine learning and a pathway from correlations to the underpinning physics.
MRS Commun
; 9(3)2019.
Artigo
em Inglês
| MEDLINE | ID: mdl-32166045
19.
Machine learning with force-field inspired descriptors for materials: fast screening and mapping energy landscape.
Phys Rev Mater
; 2(8)2018.
Artigo
em Inglês
| MEDLINE | ID: mdl-32166213
20.
Elastic properties of bulk and low-dimensional materials using Van der Waals density functional.
Phys Rev B
; 98(1)2018.
Artigo
em Inglês
| MEDLINE | ID: mdl-32166206