Talks+&+Discussions

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C. Holm, C. Peter || Field based simulationsa and link to particle based methods Ionic Liquids across scales Scale Bridging problems in biomolecular systems ||  || S. J. Marrink || Dynamics of DNA across the scales Mixed Resolution MD || Starting time might be slightly shifted due to previous talk || M. Doi || Mechanics of Materials Coarse graining in dynamics; Theory of Brownian motion revisited || P. Atzberger || Some theroretical considerations of the Adaptive Resolution Simulation (AdResS) and Estimating the force computation error in inhomogeneous and correlated molecular systems "Fluctuating hydrodynamics for inertial coarse-grained simulations" ||  ||
 * ~ **Week 1** ||~ __Time__ ||~ __Place*__ ||~ __Speaker__ ||~ __Title__ ||~ __Comments, Links,...__ ||
 * Tue, April 3 || 10:30am || TBA || All participants || Organizational Meeting / Suggestions / Introductions ||  ||
 * Wed, April 4 || 10:30am - 12:00pm || SSR || K. Kremer / P. Atzberger : All participants || Overview of the field / Brainstorming Session / Ideas for Focused Discussion Sessions ||  ||
 * Thurs, April 5 || 10:30am - 12:00pm || AUD || M. Muller,
 * Fr, April 6 || 11:00am - 12:00pm || SSR || M.P. Allen || "The danger of large timesteps" ||  ||
 * Everyday, || 1:30pm - 2:30pm || Founders Room || Interested participants || Focused Discussion Session on Theme : Topics TBD ||  ||
 * ~ **Week 2** ||~ __Time__ ||~ __Place*__ ||~ __Speaker__ ||~ __Title__ ||~ __Comments, Links,...__ ||
 * Mon, April 9 || 12:15pm || Aud || K. Kremer || //Multiple Scales in Soft Matter and Computer Simulation Approaches// || Blackboard Lunch Seminar, All welcome. ||
 * Mon, April 9 || 1:30-3:00pm || SSR || R. Everaers
 * Tue, April 10 || 10:30am - 12:00pm || SSR || A. Louis || "Representability/transferability issues of coarse grained models" ||
 * Wed, April 11 || 9:30-11:00 am || SSR || P.Gumbsch
 * Thurs, April 12 || 10:30am - 12:00pm || AUD || H. Wang
 * Thurs, April 12 || 1:00pm - 2:00pm || SSR || A. Louis || Follow-up Discussion: "Representability/transferability issues of coarse grained models" || still resolving some scheduling conflicts, may be changed... ||
 * Everyday || 1:30pm - 2:30pm || Founders Room || Interested participants || Focused Discussion Session on Theme : Topics TBD ||  ||

R. Sknepnek || Information theory ansatz to coarse graining Continuum to particle methods ||  || M. Deserno || Collagen mimicking peptides and comparison to spectroscopy Models for membranes ||  || R. Potestio || Memory effects in complex fluids QM adaptive resolution simulations ||  ||
 * ~ **Week 3** ||~ __Time__ ||~ __Place*__ ||~ __Speaker__ ||~ __Title__ ||~ Comments, Links ... ||
 * Tue, April 17 || 10:30am - 12:00pm || SSR || Scott Shell
 * Tue, April 17 || 1:30pm - 2:30pm || 2nd Floor Portal Room (Tower) || M. Deserno / P. Atzberger / et al. || Informal Discussion Session : Protein inclusions within lipid bilayer membranes. Related problems and analytic & computational approaches. ||  ||
 * Wed, April 18 || 9:30-11:00 am || SSR || C. Loison
 * Wed, April 18 || 1:30pm - 2:30pm || SSR || Cem Yolcu || Informal talk protein-protein coupling ||  ||
 * Thurs, April 19 || 10:30am - 12:00pm || AUD || W. Briels
 * Everyday || 1:30pm - 2:30pm || Founders Room || Interested participants || Focused Discussion Session on Theme : Topics TBD ||  ||

D. Donadio || Quantum Chemistry: Basics and overview Thermal transport, multiscale aspects ||  || M. Praprotnik || Restricted free energy method Adaptive resolution simulations coupled to continuum ||  ||
 * ~ **Week 4** ||~ __Time__ ||~ __Place*__ ||~ __Speaker__ ||~ __Title__ ||~ Comments, Links ... ||
 * Tue, April 24 || 10:30am - 12:00pm || SSR || W. Thiel
 * Thurs, April 26 || 10:30am - 12:00pm || AUD || C.F Abrams
 * Everyday || 1:30pm - 2:30pm || Founders Room || Interested participants || Focused Discussion Session on Theme : Topics TBD ||  ||

M. Karttunen || //Systematic coarse graining using inverse Monte// //Short stories on water// ||  ||
 * ~ **Week 5** ||~ __Time__ ||~ __Place*__ ||~ __Speaker__ ||~ __Title__ ||~ Comments, Links ... ||
 * Tue, May 1 || 10:30am-4:00pm || MSR ||  || //**Focus Week on Hydrodynamics**// ||   ||
 * Wed, May 2 || 10:30am - 12:00pm || SSR || A. Lyubartsev
 * Thu, May 3 || 9:30am-3:00pm ||  ||   || **//Focus Week on Hydrodynamics//** ||   ||
 * Everyday || 1:30pm - 2:30pm || Founders Room || Interested participants || Focused Discussion Session on Theme : Topics TBD ||  ||

(Math Colloquium) Directions To South Hall Building Floor Map ||  ||
 * ~ **Week 6** ||~ __Time__ ||~ __Place*__ ||~ __Speaker__ ||~ __Title__ ||~ Comments, Links ... ||
 * Tue, May 8 || 10:30am - 12:00pm || SSR || P. Bolhuis || Optimal reaction coordinate, kinetics, and free energy of rare events by reweighted path sampling ||  ||
 * Thurs, May 10 || 10:30am - 12:00pm || AUD || G. Leal and Chia-Chun Fu || Coarse Graining MD ||  ||
 * Thurs, May 10 || 3:30PM-4:30PM || South Hall 6635 || Mitch Luskin || Atomistic-to-Continuum Coupling Methods
 * Everyday || 1:30pm - 2:30pm || Founders Room || Interested participants || Focused Discussion Session on Theme : Topics TBD ||  ||


 * ~ **Week 7** ||~ __Time__ ||~ __Place*__ ||~ __Speaker__ ||~ __Title__ ||~ Comments, Links ... ||
 * Mon, May 14 || 1:30pm - 3:30pm || AUD || P. Bolhuis || =====Discussion on "reaction coordinates, collective variables and coarse graining degrees of freedom"===== || see reference material ||
 * Tue, May 15 || 10:30am - 12:00pm || SSR || Mitch Luskin

R. Faller || Theoretical and computational approaches to parallel replica dynamics Modeling of supported and tethered bilayers on multiple scales ||  ||
 * Thurs, May 17 || 10:30am - 12:00pm || AUD || M. J. Stevens

W. Noid || Simulations of ionomers at different scales

How structure determines coarse-grained potentials and vice versa || See reference material posted ||
 * Everyday || 1:30pm - 2:30pm || Founders Room || Interested participants || Focused Discussion Session on Theme : Topics TBD ||  ||


 * ~ **Week 8** ||~ __Time__ ||~ __Place*__ ||~ __Speaker__ ||~ __Title__ ||~ Comments, Links ... ||
 * Mon., May 21 || 1:30pm - 3:00pm || AUD || C. Junghans || Coarse-graining using the VOTCA package ||  ||
 * Thurs, May 24 || 10:30am - 12:00pm || AUD || G.S. Grest

S. Sheng || Modeling nanoparticles in solution: When can/cannot use coarse grained models? Evaporation induced nanoparticle assembly ||  ||
 * Everyday || 1:30pm - 2:30pm || Founders Room || Interested participants || Focused Discussion Session on Theme : Topics TBD ||  ||


 * ~ **Week 9** ||~ __Time__ ||~ __Place*__ ||~ __Speaker__ ||~ __Title__ ||~ Comments, Links ... ||
 * Wed, May 30 || 1:30am - 3:00pm || Founders Room || Michael Rubinstein/Gary Grest || Nanoparticles in polymer melts ||  ||
 * Thurs, May 31 || 10:30am - 12:00pm || AUD || M. Rubinstein || Polymer Brush Sweeps Lungs Clean (Polymer Physics Helps Us Breath Easier) ||  ||
 * Everyday || 1:30pm - 2:30pm || Founders Room || Interested participants || Focused Discussion Session on Theme : Topics TBD ||  ||


 * Week 10**

[|Multiscale Conference June 4th -- 8th.]

 * ~ **Week 11** ||~ __Time__ ||~ __Place*__ ||~ __Speaker__ ||~ __Title__ ||~ Comments, Links ... ||
 * Tue, June 12 || 10:30am - 12:00pm || SSR || Peter Daivis

Marina Guenza || Using non-equilibrium molecular dynamics to understand continuum physics and vice versa (Abstract see reference material) Coarse-graining and Multiscale Modeling of Macromolecular Liquids: Thermodynamic Consistency and Dynamic Reconstruction ||  || 1:30pm-2:30pm || SSR
 * Wed, June 13 || 11:00am - 12:00pm

Founders Room || Markus Deserno

Gary Grest || Determining the Gaussian Curvature of a Membrane in Simulations

What would you do with a 100 fold increase in cpu time and why? ||  ||
 * Thurs, June 14 || 10:30am - 12:00pm || Aud || Joerg Rottler

Dvora Perahia || Modeling atomic-scale structure and dynamics of interfaces on diffusive timescales Where Scattering and Simulations Meet ||
 * Everyday || 1:30pm - 2:30pm || Founders Room || Interested participants || Focused Discussion Session on Theme : Topics TBD ||  ||

***Aud=Auditorium, SSR=Small Seminar Room, MSR=Main Seminar Room, FR=Founders' Room, PL=Porthole Lounge** Ting Ge || Hierarchical Modeling of Polymer Nanocomposites: From Ab-initio, to Atomistic up to Coarse-grained Simulations Entanglements and Mechanical Failure of Amorphous Polymers ||  || Sorin Mitran || Thermodynamics of Homogeneous Thermostats for NEMD Simulations tP-CKM: A time-parallel Multiscale Algorithm for Non-equilibrated Phenomena ||
 * ~ **Week 12** ||~ __Time__ ||~ __Place*__ ||~ __Speaker__ ||~ __Title__ ||~ Comments, Links ... ||
 * Tue, June 19 || 10:30am - 12:00pm || SSR || Vagelis Harmandaris
 * Wed, June 20 ||  ||   ||   ||   ||   ||
 * Thurs, June 21 || 10:30am - 12:00pm || Aud || Peter Daivis
 * Everyday || 1:30pm - 2:30pm || Founders Room || Interested participants ||  ||   ||

***Aud=Auditorium, SSR=Small Seminar Room, MSR=Main Seminar Room, FR=Founders' Room, PL=Porthole Lounge**

Participants || Fluctuations in Non-Equilibrium Systems Discussion of Multiscale Methods for Systems Far From Equilibrium ||  ||
 * ~ **Week 13** ||~ __Time__ ||~ __Place*__ ||~ __Speaker__ ||~ __Title__ ||~ Comments, Links ... ||
 * Tue, June 26 || 10:30am - 12:00pm || SSR || Karen Dahmen
 * Wed, June 27 ||  ||   ||   ||   ||   ||
 * Thurs, June 28 || 9:30am - 11:45am || Aud || Paticipants || What Have We Learned at What's Next? ||
 * Everyday || 1:30pm - 2:30pm || Founders Room || Interested participants ||  ||   ||

***Aud=Auditorium, SSR=Small Seminar Room, MSR=Main Seminar Room, FR=Founders' Room, PL=Porthole Lounge**


 * Physics Colloqiuim**


 * Room Requests :** michelle@kitp.ucsb.edu

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