Multiscale Molecular Modeling and Simulation;Density Functional Theory;Molecular Dynamics;Monte Carlo Simulation;Coarse-grained Simulation;Continuum Simulation;Thermodynamics;Statistical Mechanics;Molecular Physics;다차원 분자모델링 및 전산모사;밀도범함수이론;분자동역학;몬테카를로 전산모사;조립질 전산모사;연속제 전산모사;열역학;통계역학;분자물리;다차원분자모델링
text-align:justify;text-justify:inter-ideograph;direction:ltr;unicode-bidi: embed;mso-line-break-override:none;word-break:break-hangul;punctuation-wrap: hanging">Multiscale molecular modeling and simulation is being used in a variety of research fields, owing to the advantage of being able to describe macroscopic phenomena through investigating molecular behavior at the atomic level. In conjunction with the development of computation technology and computer performance, the development of computer simulation research methodology is accelerating, and is particularly actively used in research fields related to nano and biomaterials. Through computer simulation theories and techniques that have been developed over the past decades, precise observations of phenomena occurring at the atomic scale can be gradually expanded to the level of experimental special and temporal scale. Thus, the current research trend is changing from experiment-oriented research to collaboration with computational research or even leading research prior to experiment. In line with these research trends, our lab conducts various theoretical researches in multidimensional levels on a wide range of topics such as energy and materials.