Publications

December 10, 2020
December 10, 2020
Categories

(45) R. Pollice, G. P. Gomes, M. Aldeghi, R. J. Hickman, M. Krenn, C. Lavigne, M. L. D’Addario, A. Nigam, C.-T. Ser, Z. Yao, A. Aspuru-Guzik “Data-driven Strategies for Materials Design”, submitted, 2020

Do you like it?0
Read more
December 9, 2020
December 9, 2020
Categories

(44) M. Christensen, L. Yunker, F. Adedeji, F. Häse, L. Roch, T. Gensch, G. P. Gomes, T. Zepel, M. S. Sigman, A. Aspuru-Guzik, J. Hein “Data-science driven autonomous process optimization”, Preprint on ChemRxiV, 2020, doi.org/10.26434/chemrxiv.13146404

Autonomous process optimization involves the human intervention-free exploration of a range of pre-defined process parameters in order to improve responses such as reaction yield and product […]
Do you like it?0
Read more
December 8, 2020
December 8, 2020
Categories

(43) R. Pollice, P. Friederich, C. Lavigne, G. P. Gomes, A. Aspuru-Guzik “Organic Molecules with Inverted Gaps between First Excited Singlet and Triplet States and Appreciable Oscillator Strengths”, Preprint on ChemRxiV, 2020, doi.org/10.26434/chemrxiv.13087319

• Patent Applied. https://chemrxiv.org/articles/preprint/Organic_Molecules_with_Inverted_Gaps_between_First_Excited_Singlet_and_Triplet_States_and_Appreciable_Fluorescence_Rates/13087319  
Do you like it?0
Read more
November 11, 2020
November 11, 2020
Categories

(42) H. S. Auhim, B. L. Grigorenko, T. Harris, I. V. Polyakov, G. P. Gomes, I. V. Alabugin, P. J. Rizkallah, A. V. Nemukhin, D. D. Jones “Stalling chromophore maturation of the fluorescent protein Venus reveals the molecular basis of the final oxidation step”, Preprint on bioRxiv, 2020, doi.org/10.1101/2020.10.13.337386

doi.org/10.1101/2020.10.13.337386
Do you like it?0
Read more
November 10, 2020
November 10, 2020
Categories

(41) C. Lavigne, G. P. Gomes‡, R. Pollice‡, A. Aspuru-Guzik “Automatic discovery of chemical reactions using imposed activation”, Preprint on ChemRxiV, 2020, doi.org/10.26434/chemrxiv.13008500.v1

doi.org/10.26434/chemrxiv.13008500.v1
Do you like it?0
Read more
September 10, 2020
September 10, 2020
Categories

(40) G. P. Gomes‡, R. Pollice‡, A. Aspuru-Guzik “Navigating through the Maze of Homogeneous Catalyst Design with Machine Learning”, Preprint on ChemRxiV, 2020, doi.org/10.26434/chemrxiv.12786722.v1

doi.org/10.26434/chemrxiv.12786722.v1
Do you like it?0
Read more
August 10, 2020
August 10, 2020
Categories

(39) S. Kaldas, C.-H. Tien, G. P. Gomes, S. Meyer, M. Sirvinskas, H. Foy, T. Dudding, A. K. Yudin “DABN Borazabicycles: Formation from MIDA Boronates and Their Synthetic Utility”, Preprint on ChemRxiV, 2020, doi.org/10.26434/chemrxiv.12605642.v1

doi.org/10.26434/chemrxiv.12605642.v1
Do you like it?0
Read more
July 10, 2020
July 10, 2020
Categories

(38) G. P. Gomes, G. Xu, X. Zhu, L.-M. Chamoreau, O. Bistri-Aslanoff, S. Roland, I. V. Alabugin, M. Sollogoub “Mapping C-H•••M interactions in confined spaces: (α-ICyDᴹᵉ)Au, Ag, Cu complexes reveal “contra-electrostatic H-bonds” masquerading as anagostic interactions”, Preprint on ChemRxiV, 2020, Version 1, doi: 10.26434/chemrxiv.12167916

doi: 10.26434/chemrxiv.12167916
Do you like it?0
Read more
June 10, 2020
June 10, 2020
Categories

(37) S. C. Davidson, G. P. Gomes, L. R. Kuhn, I. V. Alabugin, A. R. Kennedy, N. C. O. Tomkinson “Organocatalytic sulfoxidation”, Tetrahedron, 2020, doi: 10.1016/j.tet.2020.131784

doi: 10.1016/j.tet.2020.131784 Published ‡ = both authors contributed equally for this publication
Do you like it?0
Read more
12345
Next page