A national workshop on “Atomistic Modeling of Molecules and Materials (AMMM-2023)” is being organized by Chemical Engineering Group, Bhabha Atomic Research Centre (BARC), Trombay, Mumbai, India, during 11th-14th December, 2023 at Multipurpose Hall, TSH, Anushaktinagar, Mumbai. The workshop is supported by the Board of Research in Nuclear Sciences (BRNS) and Department of Atomic Energy (DAE).