We are organizing the 1st Taiwan-Thailand-Vietnam Workshop on Theoretical and Computational Chemistry at the National Taiwan University of Science and Technology, Taipei Taiwan on March 22 and 23, 2018. In this workshop, we will have general lecture talks to learn available computational methods, as well as having presentation opportunities for the young generation postdoctoral fellows and students. We hope this will help in the discussion of the theoretical and computational studies that are performed in the three countries. By detailed exchange of information, we hope that this type of interaction will lead to fruitful collaborations in the future. We invite motivated research with broad background performing theoretical studies such as biomedical applications, catalysis studies, reaction dynamics, nanomaterials, molecular dynamics simulations and quantum chemistry program developments.