Publications
You can find a full list of my publications on my Google Scholar profile.
Conference Proceedings
- Frey, N. C., Berenberg, D., Zadorozhny, K., Kleinhenz, J., Lafrance-Vanasse, J., Hotzel, I., … & Saremi, S. (2023). Protein Discovery with Discrete Walk-Jump Sampling. International Conference on Learning Representations (ICLR 2024) arXiv:2306.12360.
- Gruver, N., Stanton, S., Frey, N. C., Rudner, T. G., Hotzel, I., Lafrance-Vanasse, J., … & Wilson, A. G. (2023). Protein Design with Guided Discrete Diffusion. Advances in Neural Information Processing Systems (NeurIPS 2024) arXiv:2305.20009.
Select Publications
- Frey, Nathan C., Ryan Soklaski, Simon Axelrod, Siddharth Samsi, Rafael Gomez-Bombarelli, Connor W. Coley, and Vijay Gadepally. “Neural scaling of deep chemical models.” Nature Machine Intelligence 5, no. 11 (2023): 1297-1305.
- Frey, N. C., Samsi, S., Ramsundar, B., Coley, C. W., & Gadepally, V. (2021). Bringing Atomistic Deep Learning to Prime Time. arXiv preprint arXiv:2112.04977.
- Frey, N. C., Samsi, S., McDonald, J., Li, L., Coley, C. W., & Gadepally, V. (2021). Scalable Geometric Deep Learning on Molecular Graphs. arXiv preprint arXiv:2112.03364.
- NC Frey, M. K. Horton, J. M. Munro, S. M. Griffin, K. A. Persson, V. B. Shenoy, High-throughput search for magnetic and topological order in transition metal oxides; Science Advances (2020).
- NC Frey, D. Akinwande, D. Jariwala, V. B. Shenoy, Machine Learning-Enabled Design of Point Defects in 2D Materials; ACS Nano (2020).
- NC Frey, CC Price, A Bandyopadhyay, H Kumar, VB Shenoy. (2019) Predicted Magnetic Properties of MXenes. In: Anasori B., Gogotsi Y. (eds) 2D Metal Carbides and Nitrides (MXenes) (pp. 291-300). Springer, Cham.
- CC Price†, NC Frey†, D Jariwala, VB Shenoy. Engineering Zero-Dimensional Quantum Confinement in Transition Metal Dichalcogenide Heterostructures; ACS Nano (2019).
- T Schultz†, NC Frey†, K Hantanasirisakul†, S Park, SJ May, VB Shenoy, Y Gogotsi, N Koch. Surface termination dependent work function and electronic properties of Ti 3 C 2 T x MXene; Chemistry of Materials (2019).
- NC Frey, J Wang, GIV Bellido, B Anasori, Y Gogotsi, VB Shenoy. Prediction of Synthesis of 2D Metal Carbides and Nitrides (MXenes) and Their Precursors with Positive and Unlabeled Machine Learning; ACS Nano (2019).
- NC Frey, A Bandyopadhyay, H Kumar, B Anasori, Y Gogotsi, VB Shenoy. Surface Engineered MXenes: Electric Field Control of Magnetism and Enhanced Magnetic Anisotropy; ACS Nano (2019).
- NC Frey, H Kumar, B Anasori, Y Gogotsi, VB Shenoy. Tuning Noncollinear Spin Structure and Anisotropy in Ferromagnetic Nitride MXenes; ACS Nano (2018).
† Denotes equal contribution.