The Computational Chemistry Laboratory

Management Organisation 

Head of The Computational Chemistry Laboratory: Dr. Suwardi, M.Si. 

Laboratory Profile 

The Computational Chemistry Laboratory is an academic facility supporting academic activities, including learning and research based on modeling and simulation of chemical systems using computational approaches and modern chemical theory. This laboratory combines concepts from chemistry, mathematics, and programming to theoretically understand the structure, properties, and reactivity of molecules. This laboratory serves as a center for scientific development in theoretical and computational chemistry to support innovative, technology-based research.

Function

  1. Education Field 
    To facillitate practicals as well as lectures related to computational, quantum chemistry, and molecular modeling.

  2. Research Field 
    To facillitate research activities conducting by lecturers and students in the filed of milecular simulation, mechanism reaction, material design, and drug molecule design based on computational simulation.

  3. Development of digital skills 
    to train students in the use of  Melatih mahasiswa dalam penggunaan perangkat lunak kimia komputasi, analisis data teoretis, serta pemrograman dasar untuk aplikasi kimia.

  4. Supproting Final Assigment 
    To provide research facillitate for the final student who are concerning in the field of computational chemistry

Facillities 

  • High performance computer 

  • High performance computing (HPC)

  • Softwares for molecular simulation and data processing 

Academic Scope Activities 

  • Calculate electronic molecules with ab initio and DFT methods

  • Geometri optimisation and molecule energy analysis 

  • Theoritical analysing of Reaction mechanism study 

  • Dinamic molecular simulation

  • Material and bioligical system simulation 

Safety and Risk Management 

  • Setting device usage schedule

  • Using licensed software

  • Ensuring research data security
  • Hardware and network maintenance