User Anoop A Nair - Matter Modeling Stack Exchange

Anoop A Nair

Member for 3 years, 2 months
Last seen more than 1 year ago

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Thiruvananthapuram, Kerala, India

32 Answers

Score Activity Newest

18 votes

What are the freely available crystal-structure visualization softwares?

answered Nov 10, 2020 at 19:31

16 votes

High-Performance Computing: What does "Mio CPUh" mean?

answered Nov 10, 2020 at 14:42

13 votes

How can I submit jobs to an HPC scheduler?

answered Aug 2, 2021 at 18:32

13 votes

Is it possible to calculate the Curie temperature for magnetic systems?

answered Dec 7, 2020 at 11:28

12 votes

What is a good programming language for matter modeling?

answered Nov 2, 2020 at 18:54

12 votes

What are good resources to learn to code for matter modeling?

answered Nov 4, 2020 at 14:22

12 votes

Extracting molecular structure from CIF file using VESTA or Mercury

answered May 17, 2021 at 10:10

9 votes

Structure visualization software for Windows

answered Aug 31, 2021 at 0:15

9 votes

Open Source PyMol Conda Package: UnsatisfiableError

answered Oct 13, 2020 at 21:35

9 votes

Accepted

How to extract the Pressure, Energy and unit-cell volume from quantum ESPRESSO output file using bash script?

answered Oct 17, 2020 at 10:54

8 votes

Running Quantum ESPRESSO calculations in Google Colab

answered Oct 19, 2020 at 22:29

8 votes

How to define a nonconventional geometry to obtain exchange spring hysteresis loop structure using MuMax3?

answered Nov 9, 2020 at 12:45

7 votes

Spin orbit coupling from spin polarized density of states?

answered Oct 21, 2020 at 21:55

7 votes

Comparing calculations in plane wave and atomic orbital bases for the same functional

answered Oct 19, 2020 at 13:57

7 votes

What is the physical meaning of occupations='smearing' in Quantum ESPRESSO?

answered Oct 22, 2020 at 17:53

7 votes

What's the difference between spin-unpolarized, spin-polarized and non-colinear calculation?

answered Oct 14, 2020 at 9:20

7 votes

k-points: Odd vs. Even

answered Oct 13, 2020 at 21:26

6 votes

How can I increase the default maximum limit on step size for convergence in quantum ESPRESSO?

answered Oct 17, 2020 at 10:36

6 votes

How to know optimal K-points grid values for good DFT calculation?

answered Sep 26, 2020 at 20:40

6 votes

Accepted

How to visualize MuMax3 shapes?

answered Oct 10, 2020 at 19:41

6 votes

How to proceed with learning application of Machine Learning in material modelling?

answered Oct 26, 2020 at 21:41

5 votes

General Techniques for Smart Sampling in Matter Machine Learning?

answered Oct 29, 2020 at 10:49

5 votes

Computer simulation of squeezing flexible objects with force

answered Oct 26, 2020 at 14:13

5 votes

Validity of interpolation for density of states?

answered Oct 22, 2020 at 7:31

5 votes

Accepted

How to resolve the cif2cell TypeError?

answered Oct 11, 2020 at 19:36

5 votes

Accepted

How do I predict the structure of a nanoparticle with Calypso and Quantum ESPRESSO?

answered Dec 31, 2020 at 8:02

4 votes

How can I calculate the J value in an antiferromagnetic material?

answered May 16, 2021 at 19:58

4 votes

How to calculate the exchange matrix of a bilayer magentic system?

answered Dec 4, 2020 at 12:21

4 votes

Quantifying electronic overlap?

answered Oct 14, 2020 at 9:30

3 votes

What kind of information can be extracted from alloy microstructure images converted to Fourier space?

answered Oct 13, 2020 at 21:10

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