Understanding the electronic, structural, and dynamical properties of highly oriented pyrolytic graphite (HOPG) and its interface with water is crucial, as its layered structure, vacancy defects, and ...

Computational materials chemistry is an ever-evolving interdisciplinary field where advancements in research capabilities require equally innovative pedagogy that combines learning, content ...

They can end up costing PDOs 40 to 80 times higher than a retail broadband connection. TRAI says that PDOs are typically small establishments and as such have low earning potential.

Action recommended against six PDOs for violating guidelines by issuing illegal digital khatas of properties. CEO Girish Badole seeks action from panchayat raj commission.

Prior work on modeling conductance in π-conjugated organic molecules (15, 49, 50) has often relied on using DFT geometry-optimized structures at equilibrium directly in NEGF-DFT calculations. However, ...

Pension Desk Officers (PDOs) in government’s parastatals have lamented the salary package for civil servants, describing it as meagre. Chairman of the association, Mr. Nze Peter Nze, who spoke ...

Knowing where the electrons are within a molecule can go a long way to explaining its structure, its properties, and its reactivity. Chemists use density functional theory (DFT) methods ...

Dear All, First of all, thanks for creating ALIGNN tool. I am trying to train a model with OMDB dataset to obtain a bandgap prediction. The dataset containes xyz files of molecules and bandgap values ...

NEW DELHI: Delhi-based i2e1, a Wi-Fi analytics company, has set up an ambitious target of setting up 250,000 public data offices (PDOs) in the next three years. Currently, it operates 12,000 PDOs ...