We are a research team interested in computational sciences including physics and chemistry. Our team are included professors, PhD and MSc students in Physics, Physical Chemistry, Chemical Engineering and biology. We perform molecular computations in the fields of density functional theory (DFT), molecular dynamics (MD) and monte carlo (MC) simulations. Computational studies of electronic and quantum transport of nano systems are also carried out in our group. All of collaborations in our interested fields which provided as research link are encouraged and accepted. We provide our experiences in the setting up and maintance of high-performace computing (HPC) clusters both on CPU and GPU based architectures. Furthermore, we organize workshops in order to training computational methods and softwares. A complete list of our services can be obtained from services link.