Ankur Taya

14 Questions 11 Answers 0 Followers

Questions related from Ankur Taya

How do we contruct an optimal feature set?

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 2,725 4 View

What is the approach for Machine learning algorithms selection for material science?

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 1,523 3 View

What are the steps to query data for machine learning from Materials project using API?

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 8,485 3 View

Where is the code for matminer examples in its github link?

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 2,339 2 View

From where can I get the python based Machine learning codes for material science?

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 6,186 5 View

Which machine learning tools, libraries, and frameworks are commonly used in materials science research?

Are there any specific libraries that are well-suited for dealing with materials data?

31 July 2023 1,702 4 View

What are the prominent areas within materials science where machine learning has shown promising results?

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 545 3 View

What are the typical machine learning models employed in materials science research?

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 3,053 4 View

What are the good sources for ML in materials science?

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 1,711 3 View

What are the main challenges or pitfalls one should be aware of when applying machine learning in materials science?

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 835 5 View

Using which tools/codes the attached kind of figures/maps are made in machine learning papers?

Attachment is a snippet from paper: Prediction of nature of band gap of perovskite oxides (ABO3)...

31 July 2023 6,783 4 View

What are the common data preprocessing steps for materials datasets before applying machine learning algorithms?

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 5,481 1 View

How to calculate the value of band edges using VASP/WIEN2k for band alignment in perovskite solar cells?

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 1,454 8 View

How electron effective mass is calculated using curve fitting method?

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 4,829 4 View