Show The Graduate Center Menu
 
 

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