This volume constitutes the refereed post-conference proceedings of the International Conference on Theoretical Computer Science and Discrete Mathematics, held in Krishnankoil, India, in December 2016. The 57 revised full papers were carefully reviewed and selected from 210 submissions. The papers cover a broad range of topics such as line graphs and its generalizations, large graphs of given degree and diameter, graphoidal covers, adjacency spectrum, distance spectrum, b-coloring, separation dimension of graphs and hypergraphs, domination in graphs, graph labeling problems, subsequences of words and Parike matrices, lambda-design conjecture, graph algorithms and interference model for wireless sensor networks. .