Two-dimensional Janus material MoS2(1-x)Se2x (0 

Atomic‐Level Customization of 4 in. Transition Metal Dichalcogenide Multilayer Alloys for Industrial Applications

(2019) Yi Rang Lim et al.   ADVANCED MATERIALS

Data-Driven Discovery of Photoactive Quaternary Oxides Using First-Principles Machine Learning

(2019) Daniel W. Davies et al.   CHEMISTRY OF MATERIALS

Building energy performance forecasting: A multiple linear regression approach

(2019) G. Ciulla et al.   APPLIED ENERGY

Integration of machine learning approaches for accelerated discovery of transition-metal dichalcogenides as Hg0 sensing materials

(2019) Haitao Zhao et al.   APPLIED ENERGY

Machine-Learning-Assisted Accurate Band Gap Predictions of Functionalized MXene

(2018) Arunkumar Chitteth Rajan et al.   CHEMISTRY OF MATERIALS

Hierarchical MoSe 2 nanoflowers used as highly efficient electrode for dye-sensitized solar cells

(2018) Xianfeng Yuan et al.   ELECTROCHIMICA ACTA

Computer-Aided Screening of Conjugated Polymers for Organic Solar Cell: Classification by Random Forest

(2018) Shinji Nagasawa et al.   Journal of Physical Chemistry Letters

Tuning the electronic properties of bilayer group-IV monochalcogenides by stacking order, strain and an electric field: a computational study

(2018) Ze-Yu Li et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A Janus MoSSe monolayer: a potential wide solar-spectrum water-splitting photocatalyst with a low carrier recombination rate

(2018) Xiangchao Ma et al.   Journal of Materials Chemistry A

Screening Priority Factors Determining and Predicting the Reproductive Toxicity of Various Nanoparticles

(2018) Zhan Ban et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Machine learning for molecular and materials science

(2018) Keith T. Butler et al.   NATURE

Accelerated discovery of stable lead-free hybrid organic-inorganic perovskites via machine learning

(2018) Shuaihua Lu et al.   Nature Communications

Electronic and Optical Properties of Pristine and Vertical and Lateral Heterostructures of Janus MoSSe and WSSe

(2017) Fengping Li et al.   Journal of Physical Chemistry Letters

Discovery of Pb-Free Perovskite Solar Cells via High-Throughput Simulation on the K Computer

(2017) Takahito Nakajima et al.   Journal of Physical Chemistry Letters

Janus monolayers of transition metal dichalcogenides

(2017) Ang-Yu Lu et al.   Nature Nanotechnology

Universal fragment descriptors for predicting properties of inorganic crystals

(2017) Olexandr Isayev et al.   Nature Communications

Be aware of error measures. Further studies on validation of predictive QSAR models

(2016) Kunal Roy et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

Machine Learning Energies of 2 Million Elpasolite(ABC2D6)Crystals

(2016) Felix A. Faber et al.   PHYSICAL REVIEW LETTERS

Growth of MoS2(1–x)Se2x (x = 0.41–1.00) Monolayer Alloys with Controlled Morphology by Physical Vapor Deposition

(2015) Qingliang Feng et al.   ACS Nano

The electronic structure calculations of two-dimensional transition-metal dichalcogenides in the presence of external electric and magnetic fields

(2015) Agnieszka Kuc et al.   CHEMICAL SOCIETY REVIEWS

Phonon and Raman scattering of two-dimensional transition metal dichalcogenides from monolayer, multilayer to bulk material

(2015) Xin Zhang et al.   CHEMICAL SOCIETY REVIEWS

Large-area synthesis of monolayered MoS2(1−x)Se2x with a tunable band gap and its enhanced electrochemical catalytic activity

(2015) Lei Yang et al.   Nanoscale

Big Data of Materials Science: Critical Role of the Descriptor

(2015) Luca M. Ghiringhelli et al.   PHYSICAL REVIEW LETTERS

Ultrathin MoS2(1–x)Se2x Alloy Nanoflakes For Electrocatalytic Hydrogen Evolution Reaction

(2015) Qiufang Gong et al.   ACS Catalysis

Growth of Large-Area 2D MoS2(1-x)Se2xSemiconductor Alloys

(2014) Qingliang Feng et al.   ADVANCED MATERIALS

Bilayer Phosphorene: Effect of Stacking Order on Bandgap and Its Potential Applications in Thin-Film Solar Cells

(2014) Jun Dai et al.   Journal of Physical Chemistry Letters

Active guests in the MoS2/MoSe2 host lattice: efficient hydrogen evolution using few-layer alloys of MoS2(1−x)Se2x

(2014) Vankayala Kiran et al.   Nanoscale

How to represent crystal structures for machine learning: Towards fast prediction of electronic properties

(2014) K. T. Schütt et al.   PHYSICAL REVIEW B

Electrical tuning of valley magnetic moment through symmetry control in bilayer MoS2

(2013) Sanfeng Wu et al.   Nature Physics

Thickness and strain effects on electronic structures of transition metal dichalcogenides: 2H-MX2semiconductors (M=Mo, W;X=S, Se, Te)

(2012) Won Seok Yun et al.   PHYSICAL REVIEW B

Advances in computational methods to predict the biological activity of compounds

(2010) Chanin Nantasenamat et al.   Expert Opinion on Drug Discovery