Detalhe da pesquisa
1.
Optimality guarantees for crystal structure prediction.
Nature
; 619(7968): 68-72, 2023 Jul.
Artigo
em Inglês
| MEDLINE | ID: mdl-37407679
2.
MethMotif.Org 2024: a database integrating context-specific transcription factor-binding motifs with DNA methylation patterns.
Nucleic Acids Res
; 52(D1): D222-D228, 2024 Jan 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-37850642
3.
Chemical control of structure and guest uptake by a conformationally mobile porous material.
Nature
; 565(7738): 213-217, 2019 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-30626943
4.
Unveiling the Morphology of Carbon-Supported Ru Nanoparticles by Multiscale Modeling.
Nano Lett
; 24(9): 2689-2697, 2024 Mar 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-38285690
5.
Statistically Derived Proxy Potentials Accelerate Geometry Optimization of Crystal Structures.
Chemphyschem
; : e202400254, 2024 Apr 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-38567647
6.
Inferring energy-composition relationships with Bayesian optimization enhances exploration of inorganic materials.
J Chem Phys
; 160(5)2024 Feb 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-38341704
7.
Control of Polarity in Kagome-NiAs Bismuthides.
Angew Chem Int Ed Engl
; 63(23): e202403670, 2024 Jun 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-38470158
8.
Accessing Mg-Ion Storage in V2PS10 via Combined Cationic-Anionic Redox with Selective Bond Cleavage.
Angew Chem Int Ed Engl
; 63(18): e202400837, 2024 Apr 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-38446007
9.
Control of Ionic Conductivity by Lithium Distribution in Cubic Oxide Argyrodites Li6+xP1-xSixO5Cl.
J Am Chem Soc
; 144(48): 22178-22192, 2022 Dec 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-36413810
10.
An Analysis of 5-Level Version of EQ-5D Adjusting for Treatment Switching: The Case of Patients With Epidermal Growth Factor Receptor T790M-Positive Nonsmall Cell Lung Cancer Treated With Osimertinib.
Value Health
; 25(7): 1205-1211, 2022 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-35379563
11.
Predicting spinel solid solutions using a random atom substitution method.
Phys Chem Chem Phys
; 24(26): 16374-16387, 2022 Jul 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-35762846
12.
Machine-Learning Prediction of Metal-Organic Framework Guest Accessibility from Linker and Metal Chemistry.
Angew Chem Int Ed Engl
; 61(9): e202114573, 2022 Feb 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-34878706
13.
Extended Condensed Ultraphosphate Frameworks with Monovalent Ions Combine Lithium Mobility with High Computed Electrochemical Stability.
J Am Chem Soc
; 143(43): 18216-18232, 2021 Nov 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-34677973
14.
Highly Absorbing Lead-Free Semiconductor Cu2AgBiI6 for Photovoltaic Applications from the Quaternary CuI-AgI-BiI3 Phase Space.
J Am Chem Soc
; 143(10): 3983-3992, 2021 Mar 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-33684283
15.
Ordered Oxygen Vacancies in the Lithium-Rich Oxide Li4CuSbO5.5, a Triclinic Structure Type Derived from the Cubic Rocksalt Structure.
Inorg Chem
; 60(24): 19022-19034, 2021 Dec 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-34870428
16.
Polymorph of LiAlP2O7: Combined Computational, Synthetic, Crystallographic, and Ionic Conductivity Study.
Inorg Chem
; 60(18): 14083-14095, 2021 Sep 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-34463491
17.
Chemical Control of the Dimensionality of the Octahedral Network of Solar Absorbers from the CuI-AgI-BiI3 Phase Space by Synthesis of 3D CuAgBiI5.
Inorg Chem
; 60(23): 18154-18167, 2021 Dec 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-34751565
18.
Discovery of a Low Thermal Conductivity Oxide Guided by Probe Structure Prediction and Machine Learning.
Angew Chem Int Ed Engl
; 60(30): 16457-16465, 2021 Jul 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-33951284
19.
Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.
J Am Chem Soc
; 142(35): 14903-14913, 2020 09 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-32786807
20.
Modular Design via Multiple Anion Chemistry of the High Mobility van der Waals Semiconductor Bi4O4SeCl2.
J Am Chem Soc
; 142(2): 847-856, 2020 Jan 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-31825213