PROGRAM
SCHOOL AND CONFERENCE ON MULTISCALE MODELING AND SIMULATIONS OF HARD AND SOFT MATERIALS
SCHEDULE OF TALKS
Monday 07 Dec
Time
Speaker
Title
09:30 AM
P . B. Sunil Kumar
Introductory lecture
[Documents]
11:00 AM
Carlo Pierleoni
General Strategies for coarse graining in soft-materials Part 1
[Documents]
16:00 PM
Carlo Pierleoni
General Strategies for coarse graining in soft-materials Part 2
[Documents]
Tuesday 08 Dec
Time
Speaker
Title
09:00 AM
Shekhar Garde
General strategies for coarse-graining in soft materials.
[Documents]
11:00 AM
Shekhar Garde
General strategies for coarse-graining in soft materials.
[Documents]
16:00 PM
Carlo Pierleoni
General strategies for coarse-graining in soft materials.Part 3
[Documents]
Wednesday 09 Dec
Time
Speaker
Title
09:00 AM
Shekhar Garde
General Strategies for coarse graining in soft-materials Part 3
[Documents]
11:00 AM
Amalendu Chandra
Hybrid quantum-classical simulations: An introduction to the QM/MM method
[Documents]
16:00 PM
Amalendu Chandra
Hybrid quantum-classical simulations: An introduction to the QM/MM method
[Documents]
Thursday 10 Dec
Time
Speaker
Title
09:00 AM
Amalendu Chandra
Hybrid quantum-classical simulations: An introduction to the QM/MM method
[Documents]
11:00 AM
Marcus Elstner
Multi-scale modeling approaches to understand biological structure and function
[Documents]
16:00 PM
Marcus Elstner
Multi-scale modeling approaches to understand biological structure and function
[Documents]
Friday 11 Dec
Time
Speaker
Title
09:00 AM
Carlo Pierleoni
Coupled Electron- Ion Monte Carlo Simulation of High Pressure Hydrogen
[Documents]
11:00 AM
Sankara Subramanian
Application of the finite element method to to problems in solid mechanics
[Documents]
16:00 PM
M.P. Gururajan
Phase Field modeling of microstructure in solids
[Documents]
Saturday 12 Dec
Time
Speaker
Title
09:00 AM
Michael Falk
Multiscale Modeling of the Mechanical Response of Solids
[Documents]
11:00 AM
Michael Falk
Multiscale Modeling of the Mechanical Response of Solids
[Documents]
16:00 PM
Prabal Maiti
Implicit solvent models
[Documents]
Monday 14 Dec
Time
Speaker
Title
09:00 AM
Teresa Head-Gordon
Coarse-grained biomolecular simulations
[Documents]
11:00 AM
Teresa Head-Gordon
Coarse-grained biomolecular simulations
[Documents]
16:00 PM
Teresa Head-Gordon
Coarse-grained biomolecular simulations
[Documents]
Tuesday 15 Dec
Time
Speaker
Title
09:00 AM
Siewert J. Marrink
Multi-scale approaches to bio-molecular simulations: Development of the coarse-grained Martini model, and embellishing coarse grained models with atomic detail part 1: Lipid
[Documents]
11:00 AM
Luca Monticelli
The Martini coarse-grained force field proteins
[Documents]
11:45 AM
Siewert J. Marrink
Multi-scale approaches to bio-molecular simulations: Development of the coarse-grained Martini model, and embellishing coarse grained models with atomic detail.
[Documents]
16:00 PM
Siewert J. Marrink
Multi-scale approaches to bio-molecular simulations: Development of the coarse-grained Martini model, and embellishing coarse grained models with atomic detail. part 3: future
[Documents]
Wednesday 16 Dec
Time
Speaker
Title
09:00 AM
Luigi Delle Site
Adaptive Coarse-graining
[Documents]
11:00 AM
Luigi Delle Site
Adaptive Coarse-graining
[Documents]
16:00 PM
Peter Bolhuis
Long time scale simulations and reaction coordinates of protein conformational change.
[Documents]
Thursday 17 Dec
Time
Speaker
Title
09:25 AM
Masao Doi
Challenges in Multi Scale Modeling -Our Experience in the Polymer Modeling Project
[Documents]
10:00 AM
Yuichi Masubuchi
Multi-scale simulations with primitive chain network model for entangled polymers
11:00 AM
C. Pierlioni
Course-grained model for di-block copolymers in solutions
11:35 AM
Shekhar Garde
Water at the nanoscale: From density fluctuations and correlations to hydrophobicity
12:10 PM
Giuseppe Foffi
Attraction for clarity: colloidal characterization and thermodynamic stability of mixtures of eye-lens proteins
14:00 PM
Apratim Chatterji
Dynamics of Ultra soft colloids under shear
14:35 PM
Ronojoy Adhikari
Multiscale simulation of suspensions out of equilibrium
Friday 18 Dec
Time
Speaker
Title
10:40 AM
Arthur Voter
Accelerated Molecular Dynamics Methods
[Documents]
11:15 AM
Michael Falk
Stitching Time: Accelerating simulations of mass transport and friction
11:50 AM
Swapan K. Ghosh
Modeling Hard and Soft Materials through Density Functional Theory at Different Length Scales
[Documents]
13:30 PM
Rajiv Kalia
Hybrid petascale simulations of deformation, flow and fracture involving multimillion atoms over microsecond time scales.
14:05 PM
Priya Vasishta
Multimillion Atom Simulations of Reactive Nanosystems
[Documents]
16:10 PM
Amalendu Chandra
Hydration structure and transport kinetics of protonic defects in water-filled narrow hydrophobic pores: Role of hydrogen bond fluctuations
16:45 PM
Dhananjay Bhattacharyya
Structure, Stability and Dynamics of Different Canonical and Noncanon-ical Base Pairs: Quantum Chemical and Molecular Mechanical Calculations
[Documents]
17:20 PM
Nisanth Nair
Magnetic Exchange and Magneto-structural Dynamics in Ferrodoxins
[Documents]
Saturday 19 Dec
Time
Speaker
Title
09:00 AM
Luigi Delle Site
Scales' interplay in Molecular Liquids: Local vs. Global
09:35 AM
Subir K Das
Kinetics of Phase Separation in Binary Mixtures: From lattice to continuum
[Documents]
10:40 AM
Ganapathy Ayappa
Studies on the Bilayer Gel to Liquid Crystalline Transition: Influence of Polymer Grafting and Composition
[Documents]
11:15 AM
Ravi Radhakrishnan
Mesoscale Modeling of Cell Membrane-Mediated Trafficking
[Documents]
11:50 AM
Mohamed Laradji
Meso-scale modeling of multi-component membranes
13:30 PM
H. Eugene Stanley
Coupled Computer Simulations and Experiments of Relevance to Alzheimer Disease
14:05 PM
Sergey Buldyrev
Application of Discrete Molecular Dynamics to coarse-grained modeling of biomolecules
14:40 PM
Peter Bolhuis
Coarse graining of self-assembling fiber forming proteins
16:15 PM
Brigita Urbanc
Discrete molecular dynamics simulations of amyloid -proteinassembly
[Documents]
16:50 PM
Satyavani Vemparala
Aggregation of antimicrobial polymers: a coarse grain study
[Documents]
17:25 PM
Sanjoy Bandyopadhyay
Bio-molecular Hydration: A Perspective from Molecular Simulation
Sunday 20 Dec
Time
Speaker
Title
09:00 AM
Sanjib Senapati
Relating Nucleotide-dependent Conformational Changes in Free Tubulin Dimer to Microtubule Dynamic Instability
[Documents]
09:35 AM
B. Jayaram
Biomolecular recognition
[Documents]
10:40 AM
N. Gautham
Exploring Conformational Space Using the MOLS Technique
[Documents]
11:15 AM
S-J Marrink
Proteins Moving Lipids and Lipids Moving Proteins
11:50 AM
Prabal Maiti
Elasticity at nanoscale: DNA under tension