20 votes

Is it better for me to study chemistry or physics?

I just joined this community to answer you after I've randomly seen your post, because I think there are a couple of important variables you may want to consider: your feelings and your intuition. You ...
Alf Pascu's user avatar
  • 301
19 votes

What type of education is appropriate for people interested in Materials Modeling?

As evident from the name, Materials Modelling (or Computational Materials Science as it is sometimes called) lies at the intersection of materials science and computational engineering. To answer this ...
Mythreyi's user avatar
  • 1,359
16 votes

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

The missing semester: An MIT Course For a beginner in the field, most often the difficulty would be in working with unix-like environments, which is the only way to access many of the matter modeling ...
Rashid Rafeek's user avatar
15 votes

What type of education is appropriate for people interested in Materials Modeling?

I think that it is not the education per se (a Masters or PhD in Physics or Chemistry, for example), but the set of disciplines you take that will help you to better understand and work in the ...
Camps's user avatar
  • 22.9k
15 votes
Accepted

Artificial intelligence is a hot topic, but should I pursue it if I'm interested in Matter Modeling?

"I am a student now and should decide my major to research soon. AI/ML is a very hot research field and I am very interested in it, but I have some doubts before I study AI/ML." AI is ...
Nike Dattani's user avatar
  • 34.6k
14 votes
Accepted

Easy ways to generate "teaching" band structures in Python?

I'd suggest having a look at PythTB by Sinisa Coh and David Vanderbilt, which I found very useful and easy to use. Here's a stab at recreating the band structure of the 2d square lattice shown above <...
leopold.talirz's user avatar
13 votes

Is it better for me to study chemistry or physics?

As someone who did his undergrad in Canada, PhD in UK, and acquired post-PhD research experience in Japan, Singapore, USA, Germany, and again in Canada: I can say that the dilemma you're facing is a ...
Nike Dattani's user avatar
  • 34.6k
13 votes

How to find good universities for matter modeling?

In my experience the materials modelling field is unfortunately a bit niche to have a good ranking system. Having just done this to start my PhD, here are my tips. Supercomputing and IT Facilities ...
Matt's user avatar
  • 341
12 votes
Accepted

Bond Order: When and how is it used today?

Why Bond Order? Bond order isn't terribly useful to a computationalist directly; however, it can be invaluable for translating Quantum Mechanical results into a framework thats readily understood by ...
Tyberius's user avatar
  • 15.4k
12 votes

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

Code can be used to automate, derive insights and to calculate more observations with the given set of data. Automation: This can be done via bash scripts or through the os module in python. This is ...
Anoop A Nair's user avatar
  • 4,458
12 votes

Is it better for me to study chemistry or physics?

As a Bachelor in Physics that do research in Material Science and in Drug Development, I have to recommend you to go for the Physics degree. Also, you have to be aware about the type/specialization of ...
Camps's user avatar
  • 22.9k
11 votes

Is it better for me to study chemistry or physics?

I'm a fellow Brit who did Chemistry as a first Degree, before moving into a hybrid chemistry/statistics PhD and now works as a software engineer. My suggestion is not to get too caught up in the exact ...
Luke's user avatar
  • 111
11 votes

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

This question is quite generic but I always plug the online DFT book by Kitchin. Its a good resource showing how python can run VASP which is probably a good starting point.
Tristan Maxson's user avatar
11 votes

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

For quantum Monte Carlo or exact/Lanczos diagonalization I recommend Computational Studies of Quantum Spin Systems by Anders Sandvik arXiv:1101.3281, or AIP Conf. Pro. 1297, 135 (2010). This review is ...
taciteloquence's user avatar
10 votes

How would you explain Density Functional Theory to a high school student?

I strongly recommend you to visit the site of the North Carolina High School Computational Chemistry Server. They have a project for teachers and high school students to learn molecular simulations ...
Camps's user avatar
  • 22.9k
10 votes

Is it better for me to study chemistry or physics?

An Engineer's perspective: I started with a Bachelor's in Mechanical Engineering, and then moved to a Master's in Materials Science and Engineering. Worked for 4 years in the industry, and now came ...
Dr.Viper's user avatar
  • 457
9 votes

Is it better for me to study chemistry or physics?

I'm not working in material sciences but as a (particle) physicist I came into touch with solid physicists a lot. To elaborate: In particle physics, one of the main components is usually the ...
Ben's user avatar
  • 191
9 votes

Is it better for me to study chemistry or physics?

I studied physics and three of my family members studied chemistry. Don't worry too much about the choice. Any of those subjects will provide you with interesting study and enough career ...
longdragon's user avatar
9 votes

How would you explain Density Functional Theory to a high school student?

Explaining DFT even to a master's student is pretty hard... and to a high school student? Lol. In that case you're really restricted to a very ambiguous description. Unlike a master's student, they ...
Susi Lehtola's user avatar
  • 18.4k
9 votes
Accepted

Course on machine learning on application in material science

Machine Learning for Physicists If you wish for a general introduction to a number of ML concepts and tools useful in physics (not entirely specific to "material science"), and taught for ...
Hebo's user avatar
  • 1,665
8 votes

Easy ways to generate "teaching" band structures in Python?

Another package (sisl) can do the same thing, but a bit more verbose and dynamic. (disclaimer, I am the author). One of sisl's main goal is to interact with large TB models, and thus the complexity of ...
nickpapior's user avatar
  • 3,129
8 votes

Artificial intelligence is a hot topic, but should I pursue it if I'm interested in Matter Modeling?

I did my master's research project in predicting absorption spectra using machine learning (with fingerprints). So, my research is somewhat in the field of material modelling you can say. I want to ...
S R Maiti's user avatar
  • 6,741
8 votes
Accepted

Computational Materials Physics Course by Stefaan Cottenier (SERVER NOT FOUND)

The server went down (for fewer than 24h) due to a ransomware attack. The people from the hosting company worked hard to get it cleaned, and right now the site is online again (it may have some ...
Stefaan Cottenier's user avatar
7 votes

Bond Order: When and how is it used today?

I disagree with the statement by Tyberius that: "Bond order isn't terribly useful to a computationalist directly; however, it can be invaluable for translating Quantum Mechanical results into a ...
Thomas Manz's user avatar
7 votes

I'm considering to take an introduction course with textbook "Materials Science and Engineering: An Introduction", as a beginner QE user. Is it okay?

I am no expert or experienced in this field. All my suggestions are based on my own experience as a beginner in matter modeling. About the textbook This textbook you mentioned is sufficient for a ...
Abdul Muhaymin's user avatar
6 votes

Is it better for me to study chemistry or physics?

I think one thing missing from other commenters here is the fact that your university and PhD concentration diminishes in importance and relevance as you get older. This begins almost immediately out ...
Guest's user avatar
  • 61
6 votes

Is it better for me to study chemistry or physics?

I think Natural Sciences could be a good fit for you. I studied almost the same A Levels you did and couldn't decide whether I preferred Physics or Chemistry. Studying Natural Sciences allowed me to ...
Emma's user avatar
  • 61
6 votes

Is it better for me to study chemistry or physics?

Being great at what you like doing will open far more doors for you. You will find that there is a lot more variety of jobs than you think, and you will find interesting opportunities by being at the ...
Issel's user avatar
  • 161
6 votes

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

For Molecular Mechanics Allen & Tildesley. One of two molecular mechanics bibles. They have a github accounts with a ton of python and fortran codes Frenkel & Smit, and they have fortran 90 ...
B. Kelly's user avatar
  • 4,326
6 votes

Has DFT helped in development of better solar materials?

To make a start in answering this question, here is a review on "Computational predictions of energy materials using DFT" by Jain et al. (2016). The bar for inclusion was: examples where ...
leopold.talirz's user avatar

Only top scored, non community-wiki answers of a minimum length are eligible