| Perspectives of quantum computing for chemical engineering DE Bernal, A Ajagekar, SM Harwood, ST Stober, D Trenev, F You AIChE Journal 68 (6), e17651, 2022 | 43 | 2022 |
| Improving the variational quantum eigensolver using variational adiabatic quantum computing SM Harwood, D Trenev, ST Stober, P Barkoutsos, TP Gujarati, S Mostame, ... ACM Transactions on Quantum Computing 3 (1), 1-20, 2022 | 31 | 2022 |
| Molecular dynamics simulation of the stress–strain behavior of polyamide crystals Q Yang, W Li, ST Stober, AB Burns, M Gopinadhan, A Martini Macromolecules 54 (18), 8289-8302, 2021 | 27 | 2021 |
| Energetics and mechanism of the normal-to-amyloidogenic isomerization of β2-microglobulin: On-the-fly string method calculations ST Stober, CF Abrams The Journal of Physical Chemistry B 116 (31), 9371-9375, 2012 | 23 | 2012 |
| Effects of optical purity and finite system size on self-assembly of 12-hydroxystearic acid in hexane: molecular dynamics simulations R Gordon, ST Stober, CF Abrams The Journal of Physical Chemistry B 121 (39), 9223-9233, 2017 | 13 | 2017 |
| Aggregation of 12-hydroxystearic acid and its lithium salt in hexane: molecular dynamics simulations R Gordon, ST Stober, CF Abrams The Journal of Physical Chemistry B 120 (29), 7164-7173, 2016 | 12 | 2016 |
| Mapping spatial relationships between residues in the ligand-binding domain of the 5-HT3 receptor using a molecular ruler HL Nyce, ST Stober, CF Abrams, MM White Biophysical journal 98 (9), 1847-1855, 2010 | 12 | 2010 |
| Heterologous Synthesis and Secretion of Ricinoleic Acid in Starmerella bombicola with Sophorolipid as an Intermediate M Chatterjee, JB Patel, ST Stober, X Zhang ACS Synthetic Biology 11 (3), 1178-1185, 2022 | 11 | 2022 |
| Considerations for evaluating thermodynamic properties with hybrid quantum-classical computing work flows ST Stober, SM Harwood, D Trenev, PK Barkoutsos, TP Gujarati, ... Physical Review A 105 (1), 012425, 2022 | 11 | 2022 |
| Method and system for in-situ identification of working fluids GK Lilik, ST Stober, AM Schilowitz, ML Blumenfeld, GJ Johnston, ... US Patent 10,365,239, 2019 | 9 | 2019 |
| Effect of Aliphatic Chain Length on the Stress–Strain Response of Semiaromatic Polyamide Crystals Q Yang, W Li, ST Stober, AB Burns, M Gopinadhan, A Martini Macromolecules 55 (12), 5071-5079, 2022 | 7 | 2022 |
| Enhanced Meta-Analysis of Acetylcholine Binding Protein Structures Reveals Conformational Signatures of Agonism In Nicotinic Receptors S Stober, C Abrams 2011 AIChE Annual Meeting, 2011 | 6 | 2011 |
| Computing thermodynamic observables on noisy quantum computers with chemical accuracy ST Stober, SM Harwood, D Greenberg, TP Gujarati, S Mostame, S Raman, ... arXiv preprint arXiv:2003.02303, 2020 | 5 | 2020 |
| Method and equipment for making a complex lithium grease ST Stober, TT Nadasdi, JP Doner, JK Graham, NC Sundstrom, PR Grives, ... US Patent 7,829,512, 2010 | 5 | 2010 |
| Quantum computing thermodynamic observables of a chemical system ST Stober, SM Harwood, D Greenberg, TP Gujarati, S Mostame, S Raman, ... US Patent 11,735,291, 2023 | 3 | 2023 |
| Counterion Effects on Aggregate Structure of 12-Hydroxystearate Salts in Hexane: A Quantum Mechanical and Molecular Dynamics Simulation Study R Gordon, ST Stober, CF Abrams The Journal of Physical Chemistry B 123 (2), 534-541, 2018 | 3 | 2018 |
| Probabilistic approach to low strain rate atomistic simulations of ultimate tensile strength of polymer crystals J Cobeña-Reyes, Q Yang, ST Stober, AB Burns, A Martini Journal of Chemical Theory and Computation 19 (18), 6326-6331, 2023 | 2 | 2023 |
| Quantum computing thermodynamic observables of a chemical system ST Stober, SM Harwood, D Greenberg, TP Gujarati, S Mostame, S Raman, ... US Patent App. 18/347,882, 2023 | 1 | 2023 |
| Methanol-Assisted ADMET Polymerization of Semiaromatic Amides A Pietrangelo, AB Burns, RT Charlton, MT DeRocco, M Gopinadhan, ... ACS Macro Letters 12 (5), 605-611, 2023 | 1 | 2023 |
| Intermolecular electron delocalization in aromatic diamine antioxidants revealed by reactive molecular dynamics and density functional theory. ST Stober, S Raman, AO Patil, S Luo, YV Joshi Computational Chemistry Gordon Research Conference, 2018 | | 2018 |
SM HarwoodD-Wave SystemsE-mailová adresa ověřena na: alum.mit.edu