NewsWelcome Tanoj Langore2024/01/08Welcome M.S. level research assistant Tanoj Langore to the group! Tanoj obtained his M.S. in communication engineering from National Taiwan University. We hope that you will enjoy your time in the group!
NewsCongratulation to Tzu-Hang for successfully defending his thesis2024/01/11Congratulation to Tzu-Hang for successfully defending his thesis titled "Semi-supervised Variational Autoencoder for Ligand Optimization and Transfer Learning for Transition Metal Complexes Design". All the best in your future endeavor!
NewsCongratulations to Po-Chuan Lin on winning the Best Poster Award at CNM 20242024/04/01Congratulation to Po-Chuan Lin for winning the Best Poster Award at Chemistry National Meeting 2024,
PublicationsA Joint Semi-Supervised Variational Autoencoder and Transfer Learning Model for Design2024/06/06Lee, Z.-H.; Chen, Y.-T.; Chang, H.-T.; Yang, T.* ChemRxiv, 2023
PublicationsInverse Design of Ligands Using a Deep Generative Model Semi-Supervised by a Data-Driven Ligand Fiel2024/06/06Lee, Z.-H.; Lin, P. C.; Yang, T.* "Inverse Design of Ligands Using A Deep Generative Model Semi-supervised by A Data-driven Ligand Field Strength Metric.
PublicationsDinuclear Cobalt Complexes for Homogeneous Water Oxidation: Tuning Rate and Overpotential Through th2024/06/06Hsu, W.-C.; Zeng, W.-Q.; Lu, I.-C.* Yang, T.;* Wang, Y.-H.* "Dinuclear Cobalt Complexes for Homogeneous Water Oxidation: Tuning Rate and Overpotential Through the Redox Non-Innocent Ligand."
PublicationsManipulating the Rate and Overpotential for Enhanced Electrochemical Water Oxidation2024/10/17Wu, Y.-T.; Kumbhar, S.; Tsai, R.-F.; Yang, Y.-C.; Zeng, W.-Q.; Hsu, W.-C.; Chiang, Y.-W.; Yang, T.;* Lu, I-C.;* Wang, Y.-H.* ACS Org. Inorg. Au, 2024, 4, 306. "
PublicationsNumerical Nuclear Second Derivatives on a Computing Grid: Enabling and Accelerating Frequency Calcul2024/10/17Yang, T.;* Berry, J. F.* J. Chem. Theory Comput. 2018, 14, 3459. “
PublicationsSeeing is believing: Experimental spin states from machine learning model structure predictions2024/10/17Taylor, M. G.;⊥ Yang, T.;⊥ Lin, S.;⊥ Nandy, A.; Janet, J. P.; Duan, C.; Kulik, H. J.* J. Phys. Chem. A, 2020, 124, 3286.
PublicationsInverting Steric Effects: Using 'Attractive' Non-Covalent Interactions to Direct Silver- Catalyzed N2024/10/17Huang, M.;⊥ Yang, T.;⊥ Paretsky, J.; Berry, J. F.;* Schomaker, J. M.* J. Am. Chem. Soc. 2017, 139, 17376