Building toward the future in chemical and materials simulation with accessible and intelligently designed web applications
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Reference194 articles.
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1. Development and application of hybrid AIMD/cDFT simulations for atomic-to-mesoscale chemistry;The Journal of Chemical Physics;2024-02-13
2. NWChem: Recent and Ongoing Developments;Journal of Chemical Theory and Computation;2023-07-17
3. Degradation of Chloroform by Zerovalent Iron: Effects of Mechanochemical Sulfidation and Nitridation on the Kinetics and Mechanism;Environmental Science & Technology;2023-06-20
4. Periodic plane-wave electronic structure calculations on quantum computers;Materials Theory;2023-01-03
5. Symmetry Breaking with the SCAN Density Functional Describes Strong Correlation in the Singlet Carbon Dimer;The Journal of Physical Chemistry A;2022-12-27
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