Foundation models for atomistic simulation of chemistry and materials
Pople, J. A. Theoretical models for chemistry. In Proc. 1972 Summer Research Conference on Theoretical Chemistry 51–61 (Wiley, 1973).Frenkel, D....
simulation
Simulation of organic acid migration and transformation in Mangrove soils based on soil column experiments
Establishment of organic acid standard curveThe six organic acid standards were effectively separated by RT-HPLC when 10 µL of organic...
Digital quantum simulation of nuclear magnetic resonance experiments
Liquid-state NMR spectrum computed on quantum hardware. Credit: Science Advances (2023). DOI: 10.1126/sciadv.adh2594 Programmable quantum computers have the potential to...
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