UNDERGRADUATE PROGRAMS

Computational chemistry, which includes quantum chemistry, statistical mechanics, and molecular dynamics, uses computer simulations to study chemical phenomena. It predicts molecular structures, reaction pathways, and properties of materials with accuracy comparable to experimental methods.

Studying B.Sc. Computational Chemistry at Amity University Punjab provides a platform to study the applications which span drug design, catalyst development, and understanding biochemical processes. The students of the course also find how computational tools simulate complex systems, offering insights into molecular behaviour and interactions that are challenging to study experimentally. This domain integrates physics, chemistry, and computer science, driving innovations in materials science, environmental research, and pharmaceuticals.

Course Duration

• B.Sc. (Hons) Computational Chemistry – 3 years
• B.Sc. + M.Sc. (Hons) Computational Chemistry Integrated – 5 years

Eligibility Criteria

• B.Sc. (Hons) Computational Chemistry – 3 years
  60% in 10+2 with PCM/PCB and 60% in Chemistry
• B.Sc. + M.Sc. (Hons) Computational Chemistry Integrated – 5 years
  60% in 10+2 with PCM/PCB and 60% in Chemistry

Fees:

B.Sc. (Hons) Computational Chemistry: - First Year: 1,10,000

B.Sc. + M.Sc. (Hons) Computational Chemistry Integrated: - First Year: 90,000

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• B.Sc. (Hons) Computational Chemistry – 3 years
• Quantum Chemistry and Molecular Dynamics
• Chemical Informatics
• Drug Design and Discovery
• Bioinformatics
• Chemical Kinetics and Reaction Mechanisms
• Statistical Mechanics and Thermodynamics

• B.Sc. + M.Sc. (Hons) Computational Chemistry Integrated – 5 years>
• Advanced Quantum Chemistry
• Molecular Modeling and Simulation
• Chemoinformatics and Computational Drug Design
• Computational Materials Science
• Statistical Mechanics and Thermodynamics
• Bioinformatics and Computational Biology

Studying Computational Chemistry equips students with the following learning outcomes:

• Comprehend fundamental concepts and practices of Geographic Information Systems (GIS) and advances in Geospatial Information Science and Technology (GIS&T).
• learns advanced skills in theoretical modelling, programming, and data analysis.
• fosters a deep understanding of molecular interactions, reaction mechanisms, and material properties through simulation techniques.
• caters to diverse fields including drug discovery, materials design, and environmental science by developing and applying computational methods.
• develops proficiency in interpreting complex data, optimizing chemical processes, and collaborating across disciplines,
• prepares for careers in academia, industry research, and technological innovation.

Studying Computational Chemistry offers several key advantages:

• Innovation and Pharmaceuticals: Finds the design of new drugs, materials, and catalysts by exploring a wide range of chemical structures and configurations.
• Predictive Chemistry: Earns the ability to predict molecular structures, properties, and interactions accurately, complementing experimental methods.
• Interdisciplinary Skills: Develops proficiency in programming, data analysis, and theoretical modelling, merging chemistry with computer science and mathematics.
• Cost and Time Efficiency: Reduces the need for extensive experimental trials by simulating chemical processes and materials behaviour.
• Environmental Impact: Contributes to sustainable practices by optimizing chemical processes and materials with reduced environmental impact.
• Career Opportunities: Opens doors to careers in pharmaceuticals, materials science, environmental research, and academia, with demand for computational chemists growing in various industries.

The faculty in Computational Chemistry comprises researchers with diverse backgrounds in chemistry, physics, and computer science. They possess advanced knowledge in theoretical modelling, quantum mechanics, molecular dynamics, and statistical mechanics. The key faculty roles include professors specializing in computational methods development, quantum chemistry, molecular modelling, and bioinformatics. They collaborate with experimental chemists, physicists, and biologists to advance research in drug discovery, materials science, and environmental chemistry.

Computational chemists are in high demand across industries for their ability to accelerate innovation, reduce costs, and provide insights into molecular behaviour that are difficult to achieve through only experimental methods.

• Academia and Research Institutes: Conducting fundamental research, developing computational models, and teaching advanced courses in computational chemistry.
• Biotechnology Industry: Simulating protein interactions, designing enzymes, and understanding biochemical pathways for biotechnological applications.
• Pharmaceutical Industry: Predicting drug-target interactions, optimizing drug design processes, and virtual screening of compounds for therapeutic efficacy.
• Environmental Research: Studying pollutant interactions, molecular dynamics of biomolecules, and developing sustainable chemical processes.
• Government and Regulatory Agencies: Contributing to drug safety assessments, environmental risk assessments, and policy development based on computational predictions.
• Consulting and Software Development: Providing expertise in computational modelling and simulation software development for various industries.
• Interdisciplinary Roles: Collaborating with experimental scientists in multidisciplinary teams to solve complex scientific challenges.

Programme Structure, Syllabi, Outline of Tests, and Course of Reading as follows

B.Sc. (Hons) Computational Chemistry

B.Sc. + M.Sc. (Hons) Computational Chemistry Integrated