Laura Gagliardi

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Papers (6)

1. Experimentally Accurate Graph Neural Network Predictions of Core-Electron Binding Energies physics.chem-ph · 2026 · author #12
2. The Python Simulations of Chemistry Framework: 10 years of an open-source quantum chemistry project physics.chem-ph · 2026 · author #100
3. Exactly-embedded multiconfigurational self-consistent field theory using density matrix embedding: the localized active space self-consistent field method physics.chem-ph · 2018 · author #2
4. Density Matrix Renormalization Group Pair-Density Functional Theory (DMRG-PDFT): Singlet-Triplet Gaps in Polyacenes and Polyacetylenes physics.chem-ph · 2018 · author #5
5. Can Density Matrix Embedding Theory with the Complete Activate Space Self-Consistent Field Solver Describe Single and Double Bond Breaking in Molecular Systems? physics.chem-ph · 2017 · author #3
6. Analytic Gradients for Complete Active Space Pair-Density Functional Theory physics.chem-ph · 2017 · author #7

Mentions

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Frequent Coauthors

• Bhavnesh Jangid 2 shared papers
• Donald G. Truhlar 2 shared papers
• Hung Q. Pham 2 shared papers
• Varinia Bernales 2 shared papers
• Abdelrahman M. Ahmed 1 shared papers
• Adam E. A. Fouda 1 shared papers
• Aleksandr O. Lykhin 1 shared papers
• Alexander Sokolov 1 shared papers
• Alireza Nejati Javaremi 1 shared papers
• Andrew J. Jenkins 1 shared papers
• Andrew J. Zhu 1 shared papers
• Andrew M. Sand 1 shared papers
• Aniruddha Seal 1 shared papers
• Ankit Mahajan 1 shared papers
• Ardavan Farahvash 1 shared papers
• Basil Ibrahim 1 shared papers
• Bryan Tak Gwong Lau 1 shared papers
• Chad. E. Hoyer 1 shared papers
• Chaoqun Zhang 1 shared papers
• Chenghan Li 1 shared papers