Focused Workshop · Marcus Center for Theoretical Chemistry

When Does Memory Matter?

Non-Markovian Dynamics Across Disciplines

February 3–5, 2027 Caltech · Pasadena, California

When does memory fundamentally control the dynamics of complex systems, when can it be safely neglected, and how should it be incorporated into predictive reduced models when it cannot?

All systems we investigate are ultimately connected to their surroundings, and they often exhibit non-Markovian behavior, where future evolution depends not only on the present state but also on the system's history. A central challenge in modeling complex dynamical systems is therefore determining when memory effects must be retained in reduced descriptions and when they can be neglected without sacrificing predictive accuracy. What physical regimes make memory essential? When does the computational cost of retaining memory outweigh its predictive benefit? And what theoretical or algorithmic advances can change this balance?

Memory arises naturally across a wide range of theoretical frameworks. The Mori–Zwanzig formalism provides a unifying projection-operator perspective for deriving reduced dynamical equations in classical and quantum systems, leading to generalized Langevin equations and generalized master equations. Closely related time-nonlocal structures appear in nonequilibrium Green's function methods and embedding approaches, where interactions with unresolved degrees of freedom or an environment generate effective memory in the dynamics of the system of interest.

Different research communities, however, have developed distinct perspectives on when memory matters and how it should be treated. In biomolecular simulations, memory-aware reduced models can improve predictions of long-time conformational dynamics from short simulations. In open quantum systems and quantum materials, memory terms arise naturally in formal descriptions, while practical approximations often seek regimes in which they can be simplified or neglected. In condensed-matter and quantum many-body physics, memory is closely connected to relaxation, transport, and the emergence of effective dynamical descriptions. Meanwhile, applied mathematics provides increasingly powerful approaches for constructing, analyzing, and numerically solving reduced models with memory.

This workshop will bring these communities together around a common question: When does memory fundamentally control the dynamics of complex systems, when can it be safely truncated or replaced by an effective Markovian description, and how should it be incorporated into predictive models when it cannot? By bringing together researchers who often study closely related problems using different languages, approximations, and computational tools, we hope to identify common principles, clarify genuine differences across physical regimes, and stimulate new connections across disciplines.

Across disciplines

Scientific themes

∫

Statistical mechanics

Projection operators, generalized Langevin and master equations, coarse-graining.

↝

Biomolecular dynamics

Long-time kinetics, reduced models, memory kernels, and molecular simulation.

ψ

Open quantum dynamics

Quantum generalized master equations, dissipation, and non-Markovian evolution.

Σ

Quantum many-body theory

Nonequilibrium Green's functions, relaxation, transport, and embedding.

ƒ

Applied mathematics

Reduced modeling, algorithms, numerical treatment, and predictive approximations.

Workshop participants

Confirmed Speakers

Dimitry AbaninPrinceton University
Garnet ChanCaltech
Cecilia ClementiFreie Universität Berlin
Qiang CuiBoston University
Wenjie DouWestlake University
Hardy GrossThe Hebrew University of Jerusalem
Zhen HuangFlatiron Institute
Xuhui HuangUniversity of Wisconsin–MadisonOrganizer and Speaker
Gerhard HummerMax Planck Institute of Biophysics, Frankfurt
Jaehyeok JinYale University
Kento KasaharaOsaka University
Jason KayeFlatiron Institute
Xiantao LiPenn State University
Lin LinCaltechOrganizer and Speaker
Nancy MakriUniversity of Illinois Urbana-Champaign
Andrés Montoya-CastilloUniversity of Colorado Boulder
Yuan PingUniversity of Wisconsin–Madison
David ReichmanColumbia University
Vojtech VlcekUniversity of California, Santa BarbaraOrganizer and Speaker
Eric Vanden-EijndenNew York University
Jonathan WeareNew York University
Pinchen XieLawrence Berkeley National Laboratory

Additional speakers may be added as the program develops.

Pasadena, California

Venue & Travel

Workshop Venue

Crellin Laboratory, Room 151
California Institute of Technology (Caltech)
Pasadena, California

Crellin Laboratory is Building 30 on the Caltech campus map.

Lodging

Attendees are responsible for their own lodging arrangements and expenses. A list of nearby hotels will be provided soon.

Parking

Visitor parking information is available from Caltech Parking Services.

The nearest parking structures to Crellin Laboratory are:

Structure 2 · 405 S. Wilson Ave., Pasadena, CA 91106
Structure 1 · 341 S. Wilson Ave., Pasadena, CA 91106

Organized by

Organizers

Lin Lin

California Institute of Technology

Vojtech Vlcek

University of California, Santa Barbara

Xuhui Huang

University of Wisconsin–Madison