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Computational Chemistry

Computational Chemistry
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Computational Chemistry

Choose a category below to begin. Each category opens into focused areas, and selecting a focused area lets you pick your final internship variant (your preferred track, mode and duration).

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Showing 1–20 of 50

AI Quantum Chemistry Calculation Research
Internship studying quantum chemistry calculation with AI methods that approximate costly steps. Includes mentored hands-on analysis sessions.
Academic (A)Tech (T)Research (R)
1 Month
A · ₹7,670
T · ₹24,532
R · ₹35,683
3 Months
A · ₹32,258
T · ₹39,427
R · ₹57,348
6 Months
A · ₹71,685
T · ₹87,615
R · ₹1,27,440
14 more durations from 5 days to 1 year
5 focused areasClick to view more details →
Machine Learning Force Field Development
Internship developing ML force fields that bring quantum accuracy to classical simulation speed. Interns work with realistic case datasets.
Academic (A)Tech (T)Research (R)
1 Month
A · ₹7,670
T · ₹24,532
R · ₹35,683
3 Months
A · ₹32,258
T · ₹39,427
R · ₹57,348
6 Months
A · ₹71,685
T · ₹87,615
R · ₹1,27,440
14 more durations from 5 days to 1 year
5 focused areasClick to view more details →
AI DFT & Ab Initio Method Research
Internship studying density functional and ab initio methods with AI acceleration of calculations. Mentor-led sessions build applied skill.
5 focused areasClick to view more details →
AI Reaction Mechanism Simulation Research
Internship simulating reaction mechanisms with AI exploration of pathways and transition states. Practical exercises anchor every concept taught.
5 focused areasClick to view more details →
AI Computational Spectroscopy Research
Internship studying computational spectroscopy with AI prediction and assignment of spectra. Interns work with realistic case datasets.
Academic (A)Tech (T)Research (R)
1 Month
A · ₹7,670
T · ₹24,532
R · ₹35,683
3 Months
A · ₹32,258
T · ₹39,427
R · ₹57,348
6 Months
A · ₹71,685
T · ₹87,615
R · ₹1,27,440
14 more durations from 5 days to 1 year
5 focused areasClick to view more details →
AI Coarse-Grained Modeling Research
Internship studying coarse-grained modelling with AI parameterisation that keeps physics faithful. Practical exercises anchor every concept taught.
5 focused areasClick to view more details →
AI Electrostatics & Solvation Research
Internship studying electrostatics and solvation with AI models of charge, screening, and water. Interns practise on genuine research problems.
5 focused areasClick to view more details →
AI Photochemistry Computational Research
Internship studying photochemistry computationally with AI analysis of excited state pathways. Guided practice with real datasets throughout.
5 focused areasClick to view more details →
AI Drug Design Computational Chemistry
Internship applying computational chemistry to drug design with AI docking, scoring, and analysis. Hands-on work runs alongside theory modules.
Academic (A)Tech (T)Research (R)
1 Month
A · ₹7,670
T · ₹24,532
R · ₹35,683
3 Months
A · ₹32,258
T · ₹39,427
R · ₹57,348
6 Months
A · ₹71,685
T · ₹87,615
R · ₹1,27,440
14 more durations from 5 days to 1 year
5 focused areasClick to view more details →
AI Materials Computational Chemistry Research
Internship studying materials computationally with AI screening of structures and properties. Applied sessions reinforce each technique.
5 focused areasClick to view more details →
Molecular Dynamics Simulation Protocol Development
Research involves designing and optimizing MD simulation protocols for studying biomolecular dynamics, protein folding, and conformational changes using various force fields.
5 focused areasClick to view more details →
Transition State Theory Calculation Methods
Internship focuses on identifying transition states, calculating activation barriers, and validating reaction pathways using computational chemistry techniques.
5 focused areasClick to view more details →
Protein-Ligand Binding Affinity Prediction
Research develops and implements computational approaches to predict binding affinities between proteins and small molecules through docking and scoring methodologies.
5 focused areasClick to view more details →
Quantum Mechanical Cluster Models Research
Internship involves constructing and analyzing quantum mechanical cluster models to study enzyme active sites and heterogeneous catalysis.
5 focused areasClick to view more details →
Monte Carlo Statistical Mechanics Simulations
Research applies Monte Carlo methods to calculate thermodynamic properties, phase equilibria, and sampling of complex chemical systems.
5 focused areasClick to view more details →
Computational Enzyme Kinetics Modeling
Internship develops computational models to simulate enzyme catalytic mechanisms and predict kinetic parameters from molecular dynamics trajectories.
5 focused areasClick to view more details →
Free Energy Calculation Methods Implementation
Research implements and compares free energy perturbation, thermodynamic integration, and umbrella sampling techniques for binding and reaction studies.
Academic (A)Tech (T)Research (R)
1 Month
A · ₹7,670
T · ₹24,532
R · ₹35,683
3 Months
A · ₹32,258
T · ₹39,427
R · ₹57,348
6 Months
A · ₹71,685
T · ₹87,615
R · ₹1,27,440
14 more durations from 5 days to 1 year
5 focused areasClick to view more details →
Crystal Structure Prediction Algorithm Development
Internship focuses on developing computational methods to predict crystal structures and polymorphs of organic and inorganic compounds.
Academic (A)Tech (T)Research (R)
1 Month
A · ₹7,670
T · ₹24,532
R · ₹35,683
3 Months
A · ₹32,258
T · ₹39,427
R · ₹57,348
6 Months
A · ₹71,685
T · ₹87,615
R · ₹1,27,440
14 more durations from 5 days to 1 year
5 focused areasClick to view more details →
Molecular Orbital Analysis Electronic Structure
Research involves analyzing molecular orbital diagrams, frontier orbitals, and electron density distributions to understand chemical reactivity and bonding.
5 focused areasClick to view more details →
Vibrational Spectroscopy Prediction Modeling
Internship calculates IR and Raman spectra from quantum chemistry simulations and compares predictions with experimental spectroscopic data.
5 focused areasClick to view more details →