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Nov 20, 2024Reflections from the 2024 Large Language Model (LLM) Hackathon for Applications in Materials Science and ChemistryJun 9, 202314 Examples of How LLMs Can Transform Materials Science and Chemistry: A Reflection on a Large Language Model HackathonMar 10, 2023A Parallel, Distributed Memory Implementation of the Adaptive Sampling Configuration Interaction MethodFeb 6, 2023Computing the many-body Green's function with adaptive variational quantum dynamicsMay 24, 2022Compact Molecular Simulation on Quantum Computers via Combinatorial Mapping and Variational State PreparationSep 3, 2021Exploring Finite Temperature Properties of Materials with Quantum ComputersAug 6, 2021Algebraic Compression of Quantum Circuits for Hamiltonian EvolutionJun 15, 2021Quantum simulation of non-equilibrium dynamics and thermalization in the Schwinger modelJun 9, 2021ArQTiC: A full-stack software package for simulating materials on quantum computersJun 4, 2021Spatial Graph Attention and Curiosity-driven Policy for Antiviral Drug DiscoveryMay 17, 2021QuaSiMo: A Composable Library to Program Hybrid Workflows for Quantum SimulationMar 17, 2021Computing Free Energies with Fluctuation Relations on Quantum ComputersMar 15, 2021Real time evolution for ultracompact Hamiltonian eigenstates on quantum hardwareMar 10, 2020Resource Efficient Zero Noise Extrapolation with Identity InsertionsMar 2, 2020ML4Chem: A Machine Learning Package for Chemistry and Materials ScienceSep 30, 2019Error detection on quantum computers improves accuracy of chemical calculationsSep 4, 2019Engineered thermalization and cooling of quantum many-body systemsApr 5, 2019A quantum algorithm for high energy physics simulationsJan 23, 2019A Quantum Algorithm to Efficiently Sample from Interfering Binary TreesApr 6, 2017A Stochastic Formulation of the Resolution of Identity: Application to Second Order Møller-Plesset Perturbation Theory