Seulki Laura LimWhat is phase diagram and convex hull, why do you need to evaluate thisFigure shows the convex hull for a A-B binary system. Formation enthalpies (E form) can be calculated from the following equation.Feb 14, 20231Feb 14, 20231
Seulki Laura LimIs electronic car safe to ride in 2023With the increasing demand for electric vehicles these days, safety of electric car has been highlighted rapidly. Today I am going to…Feb 10, 2023Feb 10, 2023
Seulki Laura LimFinding minimum-energy structures by optimization method (MD)Potential energy surface describes the information of the molecule through minima, maxima and saddle points. Minima is the point where we…Oct 14, 2022Oct 14, 2022
Seulki Laura LimModelling Transition States (by GAMESS Software)This post referenced my peer Shoubhik’s post and will introduce how to model transition state using GAMESS and Avogadro software with…Jul 25, 2022Jul 25, 2022
Seulki Laura LimIntroduction to GAMESS softwareIn this post I am going to briefly show how GAMESS works and where it can be applied. GAMESS is a free software in calculating various…Jul 11, 20221Jul 11, 20221