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Questions related from Ankur Taya
How do we evaluate the importance of individual features for a specific property using ML algorithms (say using GBR) and construct an optimal features set for our problem. image taken from:...
11 May 2024 2,757 4 View
Which Machine learning algorithms suits best in the material science for the problems that aims to determine the properties and functions of existing materials. Eg. typical problem of...
11 May 2024 1,545 3 View
I have tried the following steps, but these are giving the errors 1. !pip install pymatgen 2. !pip install mp_api 2. from mp_api.client import MPRester with MPRester("my_api_key") as mpr: docs =...
21 August 2023 8,494 3 View
Matminer website mentions that matminer_examples is a repository of example notebooks showing how to use matminer but when I open the link on github page...
12 August 2023 2,369 2 View
From where can I get the python based Machine learning codes for material science? As i am not an expert in python programming and can't write the whole code on my own. I need some framework that...
01 August 2023 6,187 5 View
Are there any specific libraries that are well-suited for dealing with materials data?
31 July 2023 1,703 4 View
What are the prominent areas within materials science where machine learning has shown promising results? I am particularly interested in applications related to material property prediction,...
31 July 2023 546 3 View
What are the typical machine learning models employed in materials science research? Are there any preferred algorithms or models that tend to work well in this domain?
31 July 2023 3,055 4 View
Are there any specific books, courses, or online resources that you would recommend to someone starting their journey in machine learning for materials science? I would greatly appreciate any...
31 July 2023 1,714 3 View
What are the main challenges or pitfalls one should be aware of when applying machine learning in materials science? How can we overcome these challenges effectively?
31 July 2023 838 5 View
Attachment is a snippet from paper: Prediction of nature of band gap of perovskite oxides (ABO3)...
31 July 2023 6,803 4 View
What are the common data preprocessing steps for materials datasets before applying machine learning algorithms? How do researchers deal with missing data or outliers?
31 July 2023 5,500 1 View
Dear All In a tetragonal unit cell of MAPbI3 (containing 4 units of MAPbI3), after making a 2*1*1 supercell, I have replaced one MA+ with smaller cation and did relaxation using ISIF =3 in VASP....
02 July 2018 499 5 View
Hi everyone! I want to show band alignment of a hybrid halide perovskite material with an electron transport material ( Fig: CH3NH3PBI3 and TiO2, respectively). The position of VB edge (-5.4...
20 June 2018 1,457 8 View
Dear all, In band-structure of a compound and I know E-k values of the band containing Conduction band minima (CBM). Can anyone tell me the procedure for calculating the effective mass of the...
20 June 2018 4,830 4 View
