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First-Principles Calculations of Point Defects in Semiconductors: Formation Energies, Electronic Properties, and Diffusion
Presenter
- Peter Kratzer
October 1, 2012
IPAM
Michael Eikerling - Local Reaction in Electrocatalytic Media: Interface Theory, Realism, Complexity
Presenter
- Michael Eikerling
October 27, 2025
IPAM
The Crystal Isometry Principle infers chemistry from geometry
Presenter
- Vitaliy Kurlin
April 7, 2025
ICERM
Integrating Autonomous Systems for Advanced Material Discovery: Bridging Experiments and Theory Through Optimized Rewards
Presenter
- Sergei Kalinin
May 16, 2024
IMSI
Sampling Complex Energy Landscapes in Material Science Using Data-Driven Force Fields
Presenter
- Cosmin Marinica
April 12, 2024
IMSI
Automated Multireference Electronic Structure Theories
Presenter
- Laura Gagliardi
March 26, 2024
IMSI
Sambit Das - Computation of core energetics of pyramidal dislocation in Mg & Mg-Y alloy using DFT-FE
Presenter
- Sambit Das
April 21, 2023
IPAM
Evrim Acar - Constrained Multimodal Data Mining using Coupled Matrix and Tensor Factorizations
Presenter
- Evrim Acar
January 11, 2023
IPAM
Hamiltonian Systems Topical Workshop II - Shearless Invariant Curves In Confined Plasmas
Presenter
- Ibere Caldas
November 26, 2018
SLMath
