# Symposia and Workshops

**Theoretical physics and the phenomena of life **19/20 March 2010

The physics of proteins: the energy landscape for protein folding, function, and biomolecular machines

## José Nelson Onuchic, University of California at San Diego (now at Rice University)

Lessons from solar energy capture in photosynthesis

## Marilyn Gunner, City College of New York

Bacterial strategies of chemotaxis

## Massimo Vergassola, Institut Pasteur (now at University of California at San Diego)

From individual rules to group performance: Unveiling the mechanisms of collective animal behavior

## Irene Giardina, Universita´ di Roma, La Sapienza

On the unreasonable effectiveness of physical models in the biological sciences

## Philip Nelson, University of Pennsylvania

Energies, information, and error bars: Extracting the physics of transcriptional regulation from data

## Curtis Callan, Princeton University

The biophysics of adaptive neural coding

## Adrienne Fairhall, University of Washington

Learning to be critical

## Marcelo Magnasco, Rockefeller University

Evolution, sex and epistasis

## Boris Shraiman, University of California at Santa Barbara

**Emerging problems in particle phenomenology **9/10 April 2010

The case for electroweak symmetry breaking

## Sally Dawson, Brookhaven National Laboratory

Status of Higgs searches at the Tevatron

## Eric James, Fermilab

Searching for the Higgs in gluon fusion

## Frank Petriello, University of Wisconsin

Next–to–leading order approximation to QCD: Lessons from the W+3–jets case

## Kirill Melnikov, Johns Hopkins University

QCD at high energy: New techniques for early LHC data

## Jamal Jalilian–Marian, Baruch College and The Graduate Center, CUNY

The clash of titans at LHC: Heavy ions in search of new states of QCD matter

## Miklos Gyulassy, Columbia University

Ideas for new phenomena at colliders

## Nima Arkani–Hamed, Institute for Advanced Study

LEP archival analyses and lessons learned for the LHC

## Kyle Cranmer, New York University

Jets + MET: Now vs Then

## Jay Wacker, Stanford University

Goldstini: Multiple supersymmetry breaking in cosmology and colliders

## Jesse Thaler, Massachusetts Institute of Technology

Light WIMPs: The plot thickens?

## Juan Collar, The University of Chicago

Beyond minimal dark matter

## Neal Weiner, New York University

First Light from XENON100

## Elena Aprile, Columbia University

**Taming ****complexity **23/24 April 2010

Hidden order in glasses

## Jorge Kurchan, Ecole Supe´rieure de Physique et de Chimie Industrielles

Understanding the microarchitecture of mother–of–pearl

## Susan Coppersmith, University of Wisconsin

Quantum glass

## David Reichman, Columbia University

Why are nonlinear fits so challenging? Sloppy models and differential geometry

## James Sethna, Cornell University

Learning models with trillions of parameters

## Geoffrey E. Hinton, University of Toronto

Theory of random packings

## Hernan Makse, City College of New York

Dynamics of classical coarsening: Extension of the Kibble–Zurek mechanism

## Leticia Cugliandolo, Universite´ Pierre et Marie Curie–Paris VI

*Quantum mechanics in a glass of water *Roberto Car, Princeton University *How difficult is quantum computation?*

## David Ceperley, University of Illinois

Black hole collisions

## Frans Pretorius, Princeton University

**Energy and dynamics in macromolecular and nanoscale systems **16 Septmeber 2010

Theoretical studies of catalysis for artificial photosynthesis

## James Muckerman, Brookhaven National Laboratory

Time–domain ab initio studies of excited stated dynamics in materials for solar energy harvesting

## Oleg Prezhdo, University of Rochester

**Accurate computations in macromolecular and nanoscale systems **7 October 2010

Hydrogen molecules inside fullerenes: Nanoscale symmetry and translation–rotation dynamics

## Zlatko Bacic, New York University

How good do we have to be to compute absolute interaction energies for macromolecular systems?

## Kenneth M. Merz, Jr., University of Florida

**Topics ****in ab initio molecular dynamics **16 November 2010

The momentum distribution of the protons in hydrogen bonded systems

## Roberto Car, Princeton University

## Glenn Martyna, IBM TJ Watson Research Center

**Protein simulations: structure, thermodynamics, and water **2 December 2010

Molecular simulations of folding/unfolding equilibrium thermodynamics

## Angel Garcia, Rensselaer Polytechnic Institute

Unconventional applications of simulations in the grand canonical ensemble

## Mihaly Mezei, Mount Sinai School of Medicine

**New York theoretical and computational chemistry conference **14 January 2011

Thermodynamics, dynamics, and dimensionality reduction in biophysical simulations

## Pablo Debenedetti, Princeton University

The glass transition: Purely kinetic or thermodynamic?

## David Reichman, Columbia University

Modeling rare events in complex systems

## Eric Vanden–Eijden, New York University

Reaction coordinates for complex chemical transformations: enzymes and theoretical chemistry

## Steve Schwartz, Albert Einstein College of Medicine

Inverse molecular design for dye-sensitized solar cells

## Dequan Xiao, Yale University

The mechanism of peptide bond formation in the ribosome

## Lou Massa, Hunter College and The Graduate Center, CUNY

Efficient methods for van der Waals interactions in molecules, solids, and interfaces

## Deyu Lu, Brookhaven National Laboratory

Quantum dynamics of small clusters of hydrogen molecules inside nanocages of clathratrate hydrates

## Carlos Simmerling, Stony Brook University

**Experimental approaches to collective behavior in groups of organisms **8 February 2011

Deciphering the interactions that make swarms smart

## Guy Theraulaz, CNRS and Universite´ Paul Sabatier, Toulouse

Collective motion and decision making in mobile animal groups

## Iain Couzin, Princeton University

Obtaining individual–based trajectory data of animal groups in the field

## Ryan Lukeman, St. Francis Xavier University, Antigonish, Nova Scotia

Signaling, motility and collective behavior in unicellular organisms

## Thomas Gregor and Joshua Shaevitz, Princeton University

From data to theory in collective animal behavior

## Andrea Cavagna, CNR and Sapienza, Universita` di Roma

**Control and simulation of complex quantum dynamical processes **10 February 2011

Controlling quantum dynamics phenomena with photonic reagents and beyond

## Herschel Rabitz, Princeton University

Coherent energy transfer in photosynthesis: Iterative linearized density matrix propagation

## David Coker, Boston University

**Models for collective behavior in animal groups **15 February 2011

An informal discussion at the blackboard

## Andrea Cavagna, CNR and Sapienza, Universita` di Roma Iain Couzin, Princeton University

Irene Giardina, CNR and Sapienza, Universita` di Roma Naomi Leonard, Princeton University

Guy Theraulaz, CNRS and Universite´ Paul Sabatier, Toulouse John Toner, University of Oregon

Sebastian Weitz, Universite´ Paul Sabatier, Toulouse

**Inverse problems and the statistical mechanics of biological networks **22 February 2011

Maximum entropy models of sequence variation in protein families

## Thierry Mora, CNRS and École Normale Supérieure, Paris

Cluster expansions and the inverse Ising problem

## Simona Cocoo, Institute for Advanced Study

Protein contact prediction and the inverse Potts problem

## Martin Weigt, Human Genetics Foundation, Torino

Inference of interactions in assemblies of stochastic integrate–and–fire neurons

## Remi Monasson, Institute for Advanced Study

Maximum entropy models for collective animal behavior

## Irene Giardina, CNR and Sapienza, Universita` di Roma

**Exploring sequence space **2 March 2011

An informal discussion at the blackboard

## William Bialek, Princeton University and The Graduate Center, CUNY Harmen Bussemaker, Columbia University

Simona Cocoo, Institute for Advanced Study Justin Kinney, Cold Spring Harbor Laboratory Debora Marks, Harvard Medical School

Remi Monasson, Institute for Advanced Study

Thierry Mora, CNRS and E´ cole Normale Supe´rieure, Paris Aleksandra Walczak, CNRS and E´ cole Normale Supe´rieure, Paris Martin Weigt, Human Genetics Foundation, Torino

**Experimental approaches to collective behavior in neural networks **8 March 2011

Microelectrode structures for multineuron recording

## Dario Amodei, Princeton University

Optical recording of dynamics in a memory network

## Emre Aksay, Cornell University

Exploring 100+ neurons in a small patch of the retina

## Olivier Marre, Princeton University

Avalanches and criticality in the dynamics of neural networks in culture

## John Beggs, Indiana University

Dynamics and connectivity in a local cortical network

## R. Clay Reid, Harvard Medical School

**Metabolic control and related problems **30 March 2011

The evolution of metabolic networks in microbial systems and ecosystems

## Daniel Segre, Boston University

Exploring the space of metabolic states

## Andrea DeMartino, CNR and Sapienza, Universita` di Roma

Optimal networks for the distribution of resources: Loops in leaves

## Marcelo Magnasco, Rockefeller University

Metabolic optimization in the dynamics of neurons

## Andrea Hasenstaub, Salk Institute for Biological Studies

**Vortex ****dynamics and non–equilibrium statistical mechancis **31 March 2011

Onsager’s point vortex ensembles: 6 decades hence

## Michael Kiessling, Rutgers University

Late time evolution of unforced inviscid two–dimensional turbulence

## David Dritschel, University of Saint Andrews

Nonequilibrium statistical mechanics and climate variability

## Jeffrey Weiss, University of Colorado

**The efficiency of photosynthesis **7 April 2011

Origins, evolution, and efficiency of photosynthesis

## Robert Blankenship, Washington University

Optimality and constraints in the evolution of Rubisco

## Tsvi Tlusty, Weizmann Institute of Science

Quantum coherence in natural and biomimetic light harvesting antennae

## Mohan Sarovar, University of California at Berkeley & Sandia Laboratories

Probing, simulating, and understanding coherence in large molecular systems

## Alan Aspuru-Guzik, Harvard University

**Optimization principles in neural coding and computation **21 April 2011

Spontaneous cortical activity and optimal internal models

## Jozsef Fiser, Brandeis University

Failures to optimize in simple visual and motor judgments: Ubiquitous log odds

## Laurence T. Maloney, NYU

Bayesian models of the mind and brain: How far can we go?

## Joshua B. Tenenbaum, MIT

**Perception, memory, and movement **19 September 2011

Short-term memory through compressed sensing

## Surya Ganguli, University of California at San Francisco (now at Stanford University)

A short-term memory circuit, from single neurons to behavior

## Mark Goldman, University of California at Davis

Universal features of bistable percepts

## Nava Rubin, New York University

Optimal control of movement

## Emo Todorov, University of Washington

**Recent trends in nonlinear PDE **22 September 2011 Xavier Cabre´, University of Barcelona Changfeng Gui, University of Connecticut Fang–Hua Lin, Courant Institute

Gabriella Tarantello, Universita´ di Roma

**Non–covalent interactions and time–dependent density functional theory **11 October 2011

Fundamental forces of non–covalent interactions: From the benzene dimer to DNA

## Charles David Sherrill, Georgia Institute of Technology

Excitations and dynamics in time–dependent density functional theory

## Neepa Maitra, Hunter College and The Graduate Center, CUNY

**Information, inference, and perception **18 October 2011

Concept neurons in the human brain: From grandmother to Jennifer Aniston

## Christof Koch, California Institute of Technology and Allen Institute for Brain Science

Information theoretic methods for characterizing multidimensional neural computations

## Tatyana Sharpee, Salk Institute for Biological Studies, and UC San Diego

High fidelity coding with correlated neurons: The orchestral brain

## Rava da Silveira, E´ cole Normale Superie´ure, Paris

Perception as optimal inference: Testing the Bayesian hypothesis

## Alan Stocker, University of Pennsylvania

**Conflict, cooperation, and cultural evolution **19 October 2011

A theory of biological construction: from multicellularity to eusociality

## Corina Tarnita, Harvard University (now at Princeton University)

Intragenomic conflict and the origin of maladaptive phenotypes

## Jon Wilkins, Santa Fe Institute

The economics of cultural transmission

## Alberto Bisin, New York University

The logic of fashion cycles

## Stefano Ghirlanda, Universita´ di Bologna and Brooklyn College

**Recent advances in 3D Euler and Navier–Stokes equations **27 October 2011

The interplay between computation and analysis in the study of 3D incompressible flows

## Thomas Y. Hou, California Institute of Technology

Alternative approach to regularity for the Navier–Stokes equations in critical spaces

## Gabriel Koch, Oxford University

## Nader Masmoudi, New York University

Drift diffusion equations with fractional diffusion and the surface quasi–geostrophic equation

## Alexis Vasseur, Oxford University

**Computational and conceptual issues in mixed quantum–classical systems **8 November 2011

Mixed quantum–classical dynamics

## John Tully, Yale University

Why decoherence saves the day for surface hopping and electron transfer

## Joseph Subotnik, University of Pennsylvania

**Unifying theoretical ideas in evolution **16 November, 2011

Building an axiomatic theory of evolution

## Sean Rice, Texas Tech University

Limits on the predictability of evolution

## Troy Day, Queens University

Background variation and the fate of individual mutations: beyond the driver/passenger dichotomy

## Michael Desai, Harvard University

The Evolution of Social Complexity

## Nina Fefferman, Rutgers University

**Coding, networks, and decisions **29 November 2011

Probabilistic inference in networks of spiking neurons

## Sophie Deneve, E´ cole Normale Superie´ure, Paris

Encoding and decoding of decision-related information from spike trains in parietal cortex

## Jonathan Pillow, University of Texas and Austin (now at Princeton University)

Sparse high–order interaction networks and learnable population codes

## Elad Schneidman, Weizmann Institute of Science

Optimal population coding by noisy spiking neurons

## Gasˇper Tkacˇik, Institute of Science and Technology Austria

**Electron transport in functional nanomaterials **6 December 2011

Modeling electronic transport rates: Energetics, dynamics, and electronic structure

## Marshall Newton, Brookhaven National Laboratory

Single molecule junctions: Search for the ideal contact chemistry and the quantum of conductance

## Mark Hybertsen, Brookhaven National Laboratory

**New York theoretical and computational chemistry conference **23 January 2012

Exploring the free energy landscape of biomolecules and crystalline polymorphs

## Mark Tuckerman, New York University

The role of water in protein ligand binding

## Thomas Young, Lehman College and The Graduate Center, CUNY

Simulating biomolecules with implicit solvent models

## David Case, Rutgers University

Molecular dynamics of ionic liquids

## Mark Kobrak, Brooklyn College and The Graduate Center, CUNY

Diode linkers for the covalent attachment of Mn catalysts to TiO2 surfaces

## Victor Batista, Yale University

Decoherence induced surface hopping

## Heather Jaeger, University of Rochester

Carbon nanospheres and the stability of lipid membranes

## Arben Jusufi, College of Staten Island and The Graduate Center, CUNY

Towards programmable self–assembly

## Alexei Tkachenko, Brookhaven National Laboratory

Molecular mechanisms of signal transduction at the cell membrane

## Harel Weinstein, Cornell University

New methods for biomolecular modeling and computationally driven drug discovery

## Richard Friesner, Columbia University

**Cortical dynamics, codes, and decisions **7 February 2012

A cognitive–type cortical circuit: Decision making and working memory

## Xiao-Jing Wang, Yale University (now at New York University, and NYU Shanghai)

The neural dynamics of decision making: Multiple time scales and multiple brain areas

## Philip Holmes, Princeton University

The stabilized supralinear network: A simple circuit motif underlying cortical responses

## Ken Miller, Columbia University

Exponentially strong population codes for analog variables

## Ila Fiete, University of Texas at Austin

**Recent developments in minimal surfaces **23 February 2012

Constant mean curvature spheres in homogeneous three dimensional manifolds

## William H. Meeks, University of Massachusetts

Dynamics and singularities of mean curvature flow

## William P. Minicozzi, Johns Hopkins University

Maximal surfaces in the anti-de Sitter space and the universal Teichmu¨ ller space

## Jean–Marc Schlenker, Universite´ Toulouse III

Polynomial Pick forms for affine spheres over the complex plane

## Michael Wolf, Rice University

**From E. coli to (almost) elephants **13 March 2012

Chemical sensing in bacteria and flies

## Thierry Emonet, Yale University

Seeing through a fly’s eyes

## Rob de Ruyter van Steveninck, Indiana University

Predictive behavior in molecular networks

## Saeed Tavazoie, Columbia University

Neural network computation in molecular systems

## Erik Winfree, California Institute of Technology

**Aggregation models in biology **22 March 2012

Blowup in multidimensional aggregation equations

## Jose´ Antonio Carrillo de la Plata, Universitat Auto` noma de Barcelona

Nonlocal equations

## Peter Constantin, Princeton University

Dispersal in heterogeneous landscapes

## Yuan Lou, Ohio State University

Measured valued solutions for the Keller-Segel system

## Juan J.L. Vela`zquez, Hausdorff Center for Mathematics, Bonn

**Adaptation, inference, and natural sensory inputs **3 April 2012

Natural image statistics, 85% explained

## Matthias Bethge, Max Planck Institute for Biological Cybernetics

Computation and gain control in single neurons and networks

## Adrienne Fairhall, University of Washington

Encoding of temporal statistics in auditory cortex

## Maria Neimark Gefffen, University of Pennsylvania

Probabilistic inference in visual cognition

## Wei Ji Ma, Baylor College of Medicine (now at New York University)

**Spectroscopy and collective quantum dynamics in condensed phases **17 April 2012

Photophysical responses of polymer aggregates: Interchain vs intrachain coupling

## Frank Spano, Temple University

Structure and dynamics of molecular aggregates in liquid solution and their spectroscopic signal

## Eitan Geva, University of Michigan

**Hyperbolic conservation laws and applications **26 April 2012

Nash equilibria for traffic flow on networks

## Alberto Bressan, Pennsylvania State University

TVD fields for pairs of conservation laws and the p–system

## Kris Jenssen, Pennsylvania State University

Using geometric singular perturbation theory to understand singular shocks

## Barbara Lee Keyfitz, Ohio State University

Existence results for the Euler equations of compressible fluids in one space dimension

## Philippe LeFloch, Universite´ Pierre et Marie Curie (Paris VI)

A partial hodograph transform at a sonic curve for the Euler system

## Yuxi Zheng, Yeshiva University

**Computational modeling in drug discovery **17 May 2012

Meaningful questions and quantitative answers in membrane protein systems

## Harel Weinstein, Cornell University

Structure–kinetic relationships of p38alpha inhibitors

## Robert Pearlstein, Novartis

**Birds, spins, and entropy **22 October 2012

A journey from theoretical physics to collective animal behavior

## Andrea Cavagna and Irene Giardina, Sapienza, Universita´ di Roma

**Recent Progress in General Relativity **8 November 2012

The Geometry of Statics Spacetimes

## Carla Cederbaum, Duke University

An isoperimetric concept for quasilocal mass

## Gerhard Huisken, Max–Planck Institute for Gravitational Physics, Potsdam

## Shadi Tahvildar-Zadeh, Rutgers University

Sharp Minkowski type inequality in the AdS-Schwarzschild space and the Penrose inequality for collapsing shells

## Mu–Tao Wang, Columbia University, New-York

**Sampling methods in molecular simulations of biological macromolecules **4 December 2012

Using free energy calculations to elucidate drug mechanisms

## Grace Brannigan, Rutgers University

Free–energy methods and their application to the study of DNA structure and dynamics

## Vanessa Ortiz, Columbia University

**Harmonic maps **6 December 2012

Almost complex surfaces in the product of two 3–spheres

## John Bolton, Durham University

A harmonic map problem with partial free boundary conditions

## Fang–Hua Lin, New York University

The analysis of conformal–minimal surfaces

## Tristan Riviere, ETH

Harmonic maps into exceptional symmetric spaces

## John C. Wood, University of Leeds

**Perception, motor control, and learning: Theory and experiment in bird song **15 February 2013

Neuromechanics of birdsong production: A new sensorimotor model

## Daniel Margoliash, The University of Chicago Gabriel Mindlin, Universidad de Buenos Aires

Chained melody: Sequence generation and the emergence of higher–order syntactical structure

## Dezhe Jin, Pennsylvania State University Michael Long, New York University

How birds learn their song

## Lucas Parra, City College of New York and The Graduate Center, CUNY Ofer Tchernichovski, Hunter College and The Graduate Center, CUNY

**Perspective of the Ricci flow **, 28 February 2013

Problems in combinatorial and numerical Ricci flow

## David Glickenstein, University of Arizona

Type II singularities of Ricci flow

## Dan Knopf, University of Texas at Austin

Kahler–Ricci flow and birational surgery

## Jian Song, Rutgers University

On normalized Ricci flow and smooth structures on 4–manifolds

## Ioana Suvaina, Vanderbilt University

**Computer simulations of biomolecular systems: Inferences for drug discovery? **5 March 2013

WATMD: Water analysis tools for molecular dynamics

## Daniel McKay, National Institute for BioMedical Research

Why the knowledge of ligand design goes well beyond the binding site

## Harel Weinstein, Cornell University

**Pi Day with Chern–Simons Theory **14 March 2013

Asymptotic behavior of solutions to the σk -Yamabe equation near isolated singularities

## Zheng-Chao Han, Rutgers University

Uniqueness of topological solutions for a Chern–Simons model on a Torus

## Jyotshana Prajapat, Petroleum Institute, Abu-Dhabi

Vortices in the Maxwell–Chern–Simons–Higgs equations

## Daniel Spirn, University of Minnessota

## Gabriella Tarantello, University of Rome II

**Instantons and extreme events **29 March 2013

Instanton filtering for the stochastic Burgers equation

## Tobias Grafke, Weizmann Institute

Large deviation theory for importance sampling in wave equations

## Richard Moore, New Jersey Institute of Technology

Pathways of maximum likelihood for rare events in nonequilibrium systems

## Eric Vanden–Eijden, New York University

**From molecular mechanisms to macroscopic dynamics in biological networks **9 April 2013

Emergence of critical dynamics in the evolution of genetic networks

## Maximino Aldana-Gonzales, Universidad Nacional Auto´ noma de Mexico

The stressful life of a cell: Contractile networks at the verge of instability

## Chase P. Broedersz, Princeton University

Ears, brains, and bifurcations

## Marcelo Magnasco, Rockefeller University

Chaos and information flow in neuronal circuits

## Fred Wolf, Max–Planck Institute for Dynamics and Self-Organization

**First–principles theoretical approaches to photovoltaic materials **10 April 2013

Understanding transport and spectroscopy at organic–based interfaces

## Jeffrey Neaton, Lawrence Berkeley National Laboratory

The bulk photovoltaic effect in polar oxides for solar energy harvesting

## Andrew Rappe, University of Pennsylvania

**Challenges and advances in the quantum chemistry of excited state molecules **30 April 2013

Modeling environment effects in light–harvesting systems

## Benedetta Mennucci, University of Pisa

The undiscovered country of electronic structure theory

## Troy van Voorhis, Massachusetts Institute for Technology

**Blow–up vs regularity for fluid equations **2 May 2013

Relative entropy applied to the stability of shocks for compressible fluids

## Alexis Vasseur, University of Texas at Austin

Asymptotic stability of mild solutions to the Navier–Stokes equations

## Maria Schonbek, University of California at Santa Cruz

Profile decompositions and the Navier-Stokes equations

## Isabelle Gallagher, Universite´ Paris–Diderot

Water waves and time-space resonances

## Pierre Germain, New York University

Global well–posedness of an inviscid three–dimensional pseudo-HMCO model

## Edriss S. Titi, Weizmann Institute of Science

Long-time behavior in forced critical Surface Quasi-Geostrophic Equation

## Peter Constantin, Princeton University

**Theoretical and computational chemistry at CUNY **17 September 2013

Electron dynamics far from equilibrium in exact time-dependent density functional theory

## Neepa Maitra, Hunter College

Density functionals with dispersion interactions

## Joseph Dannenberg, Hunter College

The role of conformational reorganization in molecular recognition

## Emilio Gallichio, Brooklyn College

Molecular dynamics of PEGylated assemblies and interactions with hydrophobic drugs

## Sharon Loverde, College of Staten Island

**Quantum chemistry and dynamics of organic photovoltaics **10 December 2013

Electronic and optical processes in organic solar cells

## Jean–Luc Bre´das, Georgia Institute of Technology

Quantum simulation of exciton dynamics in conjugated molecular materials

## Peter Rossky, University of Texas at Austin

**Deciphering mysteries of ionic liquids **4 March 2014

Understanding salvation in room temperature ionic liquids

## Mark Kobrak, Brooklyn College, CUNY

Dynamics in ionic liquids: A few surprises

## Hyung Kim, Carnegie Mellon University

**New developments for old challenges in density functional theory **6 May 2014

Climbing the ladder of density functional approximations

## John Perdew, Temple University

van der Waals interaction between nanoclusters

## Adrienn Ruzsinszky, Temple University

**Shaping Amorphous Thoughts: Recent Advances in Glass and Jamming Physics **15 May 2014

High-dimensional and other mean-field glass formers: Stokes–Einstein breakdown

## Patrick Charbonneau, Duke University

Towards a quantitative microscopic theory of slow dynamics in supercooled liquids

## David Reichman, Columbia University

Excitations in amorphous solids: Implications for structure and flow

## Matthieu Wyart, New York University

Full replica symmetry breaking and criticality at jamming

## Francesco Zamponi, E´ cole Normale Supe´rieure, Paris

Shear thickening: Why having so many jamming points is indeed nice

## Romain Mari, City College and The Graduate Center, CUNY

**Theoretical and practical challenges in non adiabatic quantum dynamics **22 May 2014

Detailed balance in mixed quantum-classical dynamics

## John Tully, Yale University

Improving the efficiency of calculations using an accurate semiclassical surface hopping expansion

## Michael Herman, Tulane University

Describing quantum phenomena using phase space trajectories

## Craig Martens, University of California at Irvine

An atomistic surface hopping view of energy transfer with a hint of spectroscopy

## Joe Subotnik, University of Pennsylvania

Recent developments in non–adiabatic molecular dynamics with applications to nanomaterials

## Oleg Prezhdo, University of Rochester

The exact potentials acting on electronic and nuclear subsystems in coupled electron-ion dynamics

## Neepa Maitra, Hunter College and The Graduate Center, CUNY

Efficient non-adiabatic excited state dynamics simulations in extended molecular systems

## Sergei Tretiak, Los Alamos National Laboratory

Dynamics of singlet fission

## David Reichman, Columbia University

**Theoretical and computational chemistry at CUNY **7 October 2014

Drug target interaction by KEM of quantum crystallography

## Louis Massa, Hunter College

Modeling ion–beam experiments with statistical modeling and dynamics simulations

## Jianbo Liu, Queens College

Approximations to the complete active space self-consistent field method for excited states

## Edward Hohenstein, City College of New York

**Advances in quantum chemistry for accurate materials modeling **3 February 2015

Quantum chemical studies of charged states in conjugated polymers

## Qin Wu, Brookhaven National Laboratory

Breaking the curse of dimensionality for the electronic Schrd¨inger equation

## Paul Ayers, McMaster University

**Origins and consequences of quantum coherence in resonance energy transfer **17 March 2015

Effects of nuclear motion of electronic excitation transfer systems

## Jeff Cina, University of Oregon

Coherence, decoherence, and incoherence in natural light harvesting systems

## Paul Brumer, University of Toronto

**Computational modeling in drug discovery **8 April 2015

Structure–based modeling of G–protein coupled receptors

## Thijs Beuming, Schro¨ dinger, Inc

How molecular dynamics simulations may applicable to the design of kinase drugs

## Gibing Shan, DE Shaw Research

**Electron interactions and decoherence in large systems **5 May 2015

Partition density functional theory

## Adam Wasserman, Purdue University

Electronic decoherence in molecules

## Ignacio Franco, University of Rochester

**Advances in path integral and quantum master equation methods **14 May 2015

Path integral methods for chemical and energy transfer dynamics

## Thomas Miller III, California Institue of Technology

Vibrational spectroscopy of water from quantum many–body molecular dynamics

## Francesco Paesani, University of California at San Diego

Novel path integral based dynamics for photochemistry

## Nandini Ananth, Cornell University

Quantum dynamics of confined molecules

## PN Roy, University of Waterloo

Long time path integral simulation of quantum impurity models: Taming the sign problem

## David Reichman, Columbia University

Real-time and imaginary time quantum hierarchical equations

## Yoshitaka Tanimura, Kyoto University

Partial linearized density matrix dynamics for nonadiabatic dynamics

## David Coker, Boston University

Calculation of vibrational and electronic spectra

## Jianshu Cao, Massachusetts Institute of Technology

Real time propagation of imaginary time path integral and generalized master equations

## Seogjoo Jang, Queens College and The Graduate Center, CUNY

**Reconciling practicality and theoretical correctness in molecular simulations **19 May 2015

Schro¨dinger theory of electronic structure of matter from a Newtonian perspective

## Viraht Sahni, Brooklyn College and The Graduate Center, CUNY

Landscape and flux theory for nonequilibrium systems

## Jin Wang, Stony Brook University

Successes of Amber RNA force field

## David Mathews, University of Rochester

Energy–level and electronic–coupling fluctuation control of charge transfer reactions

## Spiros Skourtis, University of Cyprus

Modeling redox chemistry in Photosystem II with mixed quantum and classical methods

## Leslie Vogt, New York University

Applications of DFT methods in organic photovoltaics

## Qin Wu, Brookhaven National Laboratory

Charge transfer and open quantum system dynamics modeled by subsystem density functional theory

## Michele Pavanello, Rutgers University

Electron and proton transfer in biology: How far can we go with a classical description

## Marilyn Gunner, City College and The Graduate Center, CUNY

Predicting protein structures from physics and heuristics

Alberto Perez, Stony Brook University *Theory and computational design of proteins *Jeff Saven, University of Pennsylvania