Find answers to your questions about Matter Modeling or help others by answering their Matter Modeling questions.
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 answerWhen 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 answerThis 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 answerI 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 answerSimilar 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 answerMany 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 answerI 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 answerAlmost 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 answerThis 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 answerWe 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
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