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26 results on '"Pritchard, Benjamin"'

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1. Roadmap on methods and software for electronic structure based simulations in chemistry and materials

4. Developing and implementing a sustainable, integrated weed management program for herbicide‐resistant Poa annua in turfgrass

6. SPICE, A Dataset of Drug-like Molecules and Peptides for Training Machine Learning Potentials

9. Psi41.4: Open-source software for high-throughput quantum chemistry

10. Psi4 1.4: Open-Source Software for High-Throughput Quantum Chemistry

11. Psi4 1.4: Open-Source Software for High-Throughput Quantum Chemistry

14. Perspective: Computational chemistry software and its advancement as illustrated through three grand challenge cases for molecular science

16. Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability

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