Programme
Date & Day | Time | Session | Speaker | Topic |
6.5.2009 Wednesday | 8.30-9.00am | Registration | ||
9.00-10.30 am | Lecture | Sudeep Punnathanam | Introduction to Molecular Simulations, Ensembles and Connection to Thermodynamics | |
10-30-11.00 am | TEA BREAK | 11.00 am - 12.30 pm | Lecture | K.G. Ayappa | Molecular Dynamics Simulation Basics |
12.30-2.00 pm | LUNCH BREAK | |||
2.00-3.30 pm | Tutorial | Sudeep Punnathanam | Computing Interaction Potentials/Forces | |
3.30-4.00 pm | TEA BREAK | |||
4.00-5.30 pm | Tutorial | K. G. Ayappa | Molecular Dynamics Simulations | |
7.5.2009 Thursday | 9.00-10.30 am | Lecture | Prabal Maiti | Extended Systems Molecular Dynamics: NVT, NPT |
10.30-11.00 am | TEA BREAK | |||
11.00 am - 12.30 pm | Tutorial | Prabal Maiti | Molecular Dynamics - Extended systems | |
12.30-2.00 pm | LUNCH BREAK | |||
2.00-3.30 pm | Lecture | Jhumpa Adhikari | Monte Carlo Simulations - Importance Sampling: Metropolis Method | |
3.30-4.00 pm | TEA BREAK | |||
4.00-5.30 pm | Tutorial | Jhumpa Adhikari | Monte Carlo Simulations | 8.5.2009 Friday | 9.00-10.30 am | Lecture | Pankaj Apte | Thermodynamic Integration Methods |
10.30-11.00 am | TEA BREAK | |||
11.00 am - 12.30 pm | Tutorial | Pankaj Apte/ Jayant Singh |
Thermodynamic Integration Methods | |
12.30-2.00 pm | Lunch Break | |||
2.00-3.30 pm | Lecture | P. Sunthar | Brownian Dynamics | |
3.30-4.00 pm | TEA BREAK | |||
4.00-5.30 pm | Tutorial | P. Sunthar | Brownian Dynamics |
SERC Symposium: Molecular and Mesoscale Simulations - Application in Engineering Sciences May 9th, 2009 (Download)
Session | Time | Speaker | Topic |
9.5.2009 Saturday | 8.30-9.00am | Registration | |
9.15 am | Prof. Prabhu R Nott, IISc, Bangalore | Welcome Address | |
SESSION I | DENSITY FUNCTIONAL METHODS | ||
Session Chair | Prof. Shobhana Narasimhan, JNCASR, Bangalore | ||
I | 9.30-9.55 am | Raj Ganesh, IIT, Kanpur | Ask Not What You Can Do For The (Density Functional) Theory, But What The Theory Can Do For You |
9.55-10.20 am | Kunj Tandon, Shell R & D, Bangalore | Modeling Surface Chemical Reactions In Catalysts | |
10.20-10.45 am | S. Balasubramanium, JNC, Jakkur | Computer Simulations of Room Temper-ature Ionic Liquids | |
10.45-11.15 am | TEA BREAK | ||
SESSION II | BIOLOGICAL SYSTEMS : MEMBRANES/DNA | ||
Session Chair | Prof. K L Sebastian, IISc, Bangalore | ||
II | 11.15-11.40 am | Satyavani Vemparala, IMSc, Chennai | Ion Conduction And Drug Interactions In A Potassium Channel |
11.40-12.05 am | Prabal Maiti, IISc, Bangalore | Elasticity At Nanoscale: DNA Under Tension | |
12.05-12.30 pm | P.B. Sunil Kumar, IIT, Madras | Shear Induced Ordering In Branched Living Polymer Solutions | |
12.30-2.00 pm | LUNCH BREAK : IISc GUEST HOUSE LAWNS | ||
SESSION III | MOLECULAR SIMUILATIONS - II | ||
Session Chair | Prof. T A Abinandanan, IISc, Bangalore | ||
III | 2.00-2.25 pm | Sudeep Punnathanam, IISc., Bangalore | Activated Instability During Homogeneous Bubble Nucleation And Growth |
2.25-2.50 pm | Pankaj Apte, IIT, Kanpur | Direct Computation Of Anisotropy Of Crystal-Melt Interfacial Energy Of Silicon By Simulation | |
2.50-3.15 pm | Jhumpa Adhikari, IIT, Bombay | Prediction Of Thermodynamic And Structural Properties Of InGaAs Using Molecular Simulations | |
3.15-3.40 pm | Manisha Vekaria, Accelrys Software Inc., Cambridge. | Modeling Methods For Understanding Surface Science, Catalytic Processes And Corrosion Mechanisms | |
3.40-4.15 pm | TEA BREAK | ||
SESSION IV | MESOSCALE AND CONTINUM SIMULATIONS | ||
Session Chair | Prof. Sriram Ramanswamy, IISc, Bangalore | IV | 4.15-4.40 pm | P. Sunthar, IIT, Bombay | TBA |
4.40-5.05 pm | Srinivas Mohan, Fluent, Pune | Discrete Particle Models For Dense Fluid-Particulate Flows | |
5.05-5.30 pm | Anugrah Singh, IIT, Guwahati | CFD Simulation Of Shear Induced Particle Migration |
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