Workshop III at IPAM advances algebraic, computational, and machine learning methods for electronic structure and molecular response function research.
Funder: Institute for Pure and Applied Mathematics
Due Dates: March 3, 2027: Application deadline for fullest consideration (including requests for financial support)
Funding Amounts: Registration: $25 (graduate students), $50 (postdocs), $75 (faculty/govt), $100 (industry), $10 (remote); travel support available by application
Summary: Workshop advancing algebraic, computational, and machine learning methods in electronic structure and molecular response functions.
Key Information: Funding priority for early-career researchers and students, but all career stages encouraged to apply.
This workshop, hosted by the Institute for Pure and Applied Mathematics (IPAM), focuses on advanced algebraic and computational approaches to electronic structure phenomena, especially excited states and higher-order response functions in molecular systems. The event will explore the use of algebraic methods for characterizing conical intersections, the application of parametric homotopy continuation, and recent advances in numerical algebraic geometry to improve accuracy and broaden applicability to complex molecular systems. Participants will also discuss the integration of machine learning—such as operator and gradient-based learning—for developing robust surrogate models that exploit the symmetry and structure of electronic solutions.
A poster session is planned, and registered participants will be invited to submit poster abstracts in advance of the workshop.