Results 101 to 110 of about 15,563,102 (204)

First-principles study on electronic properties of two-dimensional puckered group-V nanostructure

, 2015
1
지승훈
core  

Exploring the chemical space of transition-metal cluster thermodynamics via automated first-principles calculations and machine learning. [PDF]

Nat Commun
Li NZ, Wang ZY, Li ZY, Shi Q, Liu QY, He SG.   +5 more
europepmc   +1 more source

Li Ion Diffusion in The Solid State Electrolytes β-Li3PS4 From First-Principles

, 2012
1
지승훈
core  

First-Principles Calculations for Enhancing the TER Effect through Resonance Band Engineering. [PDF]

ACS Omega
Su J, Li J.
europepmc   +1 more source

First Principles Calculations [PDF]

, 2016
openaire   +1 more source

First-Principles Calculations and PMUT Applications of Piezoelectric Thin-Film Materials. [PDF]

Micromachines (Basel)
Che C, Yi S, Zhang C, Zheng X, He X, Xu D.   +5 more
europepmc   +1 more source

First principles calculations : theory and application

, 1997
The general theory of first principles calculations is presented and all equations are derived from basic starting points. In particular, an explanation of density functional theory (DFT) is given, with emphasis on the Hohenberg-Kohn theorem, the Kohn ...
Taraschi, Gianni.
core  

Application of first-principles results to calculations of phase diagrams

, 2005
Application of first-principles electronic structure calculations to construction of phase diagrams are ...
Vřešťál, J.
core  

Tetragonal distortion of the multiferroic compound α-LiFe₅O₈ from first-principles calculations. [PDF]

J Appl Crystallogr
Cheng Y, Park SH.
europepmc   +1 more source

First-Principles Electronic Structure of Solid Picene

, 2013
1
심지훈, NguyenPhuong Thao
core