1. All Categories
  2. Matter Modeling

Matter Modeling : Recent Questions and Answers (Page 7)

Find answers to your questions about Matter Modeling or help others by answering their Matter Modeling questions.

Berry's curvature and magnetic moment in TMDCs

I am studying the transition metal dichalcogenides (TMDCs) and one of the applications that these materials have is their use in valleytronics. Valleytronics is related to the...

Asked on 08/19/2021 by Carmen González

2 answer

Analog computing in matter modeling today: Any applications?

When we think about computers and computing today, almost invariably we think about digital computers, the ever-present objects today. But reading this question in the Chemistry stackexchange, ...

Asked on 08/19/2021 by ksousa

1 answer

What are the pitfalls for new users of DFT?

This question is inspired from a post in another SE. Many users these days use density functional theory codes as 'black boxes' and hence its natural to expect that...

Asked on 08/19/2021

4 answer

Calculating diffusion coefficient from Mean Squared Displacement

I am performing a molecular dynamics simulation and I have calculated the velocity autocorrelation function (VACF), $psi (t)$ and mean square displacement, $langle (Delta r)^2 rangle$. In my...

Asked on 08/19/2021

2 answer

What are the types of MCSCF?

Similar to:What are the types of SCF?What are the types of Quantum Monte Carlo?What are the types of ab initio Molecular Dynamics?What are the types of...

Asked on 08/19/2021

3 answer

What are the types of SCF?

Many of us know the most common types of SCF (though we can do better than Wikipedia at explaining them):RHF (Restricted Hartree-Fock), RKS (Restricted Kohn-Sham) [...

Asked on 08/19/2021

5 answer

Which schedulers are compatible with a virtual machine?

I have an old TORQUE cluster (out of support) with 4 nodes running on Cent OS 6 and I am having trouble using the latest versions of Matter Modelling software....

Asked on 08/19/2021

1 answer

Is the number of possible Bravais lattices a mathematical fact?

Almost anyone that has taken a Solid State Physics course will know, that any 3D crystal must be in one of the 14 Bravais lattices due to symmetry...

Asked on 08/19/2021 by Camps

1 answer

What are the great unsolved questions in Matter Modeling?

This is inspired from an amazingly successful question on Operations Research Stack Exchange: What are the great unsolved problems in operations research?Wikipedia has some huge lists of:...

Asked on 08/19/2021

2 answer

Quantum Dot properties using VASP

We are working on the excitonic properties of cadmium-based Quantum Dots (QD) and QD heterostructures. We have MedeA-VASP and hence we managed to make QD structure. Are QD calculations different...

Asked on 08/19/2021 by Suseel Rahul

2 answer

Ask a Question

Get help from others!

© 2022 All rights reserved.