Presentations
Oral Disseminations (invited/contributed)
2022
1st Annual PySCF Developers' Meeting, Pasadena, CA, USA (invited)
(Non-)Abelian Point Group Symmetries in Many-Body Expanded FCI Theory
12th Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC 2020), Vancouver, BC, Canada (invited)
Local Decompositions of Kohn-Sham Density Functional Theory
2021
Danish Chemical Society, Copenhagen, Denmark (invited)
Mean-Field Decompositions: A Local View on Kohn-Sham Density Functional Theory
2020
Department of Physics, King's College London, United Kingdom (invited) [Postponed due to COVID-19]
An Introduction to MBE-FCI Theory
Department of Chemistry, University of Cambridge, United Kingdom (invited)
The Sum of its Parts: An Overview of MBE-FCI Theory
2019
9th Molecular Quantum Mechanics (MQM) Conference, Heidelberg, Germany (contributed)
Current Progress in Many-Body Expanded Treatments of the Full Configuration Interaction Problem
2018
Methods and Algorithms in Quantum Chemistry Conference, Aarhus, Denmark (invited)
Many-Body Expanded Full Configuration Interaction
Workshop on Solving the Full Configuration Interaction Problem, Kobe, Japan (invited)
MBE-FCI: Details, Scope, and Potential
Molecular Electronic Structure (MES) Conference, Metz, France (contributed)
Many-Body Expanded Full Configuration Interaction
Strong Correlation in Electronic Structure Theory Conference, Strasbourg, France (contributed)
Strong Correlation in Many-Body Expanded Full Configuration Interaction
Low-Scaling and Unconventional Electronic Structure Techniques (LUEST) Conference, Telluride, CO, USA (invited)
Many-Body Expanded Full Configuration Interaction
2017
17th European Seminar on Computational Methods in Quantum Chemistry, Shropshire, UK (contributed)
The Generalized Bethe-Goldstone Equation Revisited: Towards the Full Configuration Interaction Limit for Large Molecular Systems
Institut für Theoretische Chemie, Universität Stuttgart, Germany (invited)
Convergence of Coupled Cluster Perturbation Theory
2016
Magical Mystery Tour of Electron Correlation Symposium, Oslo, Norway (invited)
Efficient and Portable Acceleration of Quantum Chemical Many-Body Methods in Mixed Floating Point Precision Using OpenACC Directives
8th GPU Technology Conference, San Jose, CA, USA (contributed)
Need for Speed: Accelerating High-Accuracy Quantum Chemistry using OpenACC Directives
2015
Workshop on New Developments in Coupled Cluster Theory, Telluride, CO, USA (invited)
Various Aspects of Non-Iterative Coupled Cluster Perturbation Theory
55th Sanibel Symposium, St. Simons Island, GA, USA (contributed)
Non-Iterative Coupled Cluster Triples Models: Error Cancellation and the Role of Amplitude Relaxation
2014
Danish Chemical Society, University of Copenhagen, Denmark (invited)
Non-Iterative Coupled Cluster Triples Models: Error Cancellation and the Role of Amplitude Relaxation
OLCF user meeting, Oak Ridge National Laboratory, TN, USA (invited)
Non-Iterative Coupled Cluster Perturbation Theory
2012
Interdisciplinary Center for Scientific Computing, Universität Heidelberg, Germany (invited)
On the Importance of Excited State Dynamic Response Electron Correlation in Polarizable Embedding Methods