资讯

Integral functionals based on convex normal integrands are minimized subject to finitely many moment constraints. The integrands are assumed to be strictly convex but not autonomous or differentiable.
The researchers identified a clear trade-off between environmental cost and predictive performance. Fully DFT-based workflows ...
In this paper, we investigate the stability criteria for linear systems with interval time-varying delay. By constructing novel Lyapunov-Krasovskii functionals (LKF) based on delay partitioning idea ...
Achieving high efficiency, long operational lifetime, and excellent color purity is essential for organic light-emitting ...
We present an orbital-resolved extension of the Hubbard U correction to density-functional theory (DFT). Compared to the conventional shell-averaged approach, the prediction of energetic, electronic ...
Somaiya Vidyavihar University hosted the National Symposium on Computational Science and the 75th Birthday Festschrift of Prof. Shridhar R. Gadre. Organised by the Centre for Excellence in ...
Band structure calculations based on density functional theory (DFT) with local or gradient-corrected exchange-correlation potentials are known to severely underestimate the band gap of semiconducting ...