Zobrazeno 1 - 10
of 1 152
pro vyhledávání: '"Dunn, Ian A."'
Autor:
Dunn, Ian, Koes, David R.
Deep generative models that produce novel molecular structures have the potential to facilitate chemical discovery. Flow matching is a recently proposed generative modeling framework that has achieved impressive performance on a variety of tasks incl
Externí odkaz:
http://arxiv.org/abs/2411.16644
Autor:
Dunn, Ian, Koes, David Ryan
Deep generative models that produce novel molecular structures have the potential to facilitate chemical discovery. Diffusion models currently achieve state of the art performance for 3D molecule generation. In this work, we explore the use of flow m
Externí odkaz:
http://arxiv.org/abs/2404.19739
Autor:
Dunn, Ian, Koes, David Ryan
Diffusion generative models have emerged as a powerful framework for addressing problems in structural biology and structure-based drug design. These models operate directly on 3D molecular structures. Due to the unfavorable scaling of graph neural n
Externí odkaz:
http://arxiv.org/abs/2311.13466
Autor:
Dixon, Laura M. *, Brocklehurst, Sarah, Hills, Joe *, Foister, Simone, Wilson, Peter W., Reid, Angus M.A., Caughey, Sarah, Sandilands, Victoria *, Boswell, Tim, Dunn, Ian C., D'Eath, Rick B. *
Publikováno v:
In Poultry Science December 2024 103(12)
Publikováno v:
Phys. Rev. B 105, 224305 (2022)
In this work we present a self-consistent cumulant expansion (SC-CE) and investigate its accuracy for the one-dimensional Holstein model with and without phonon dispersion. We show that for finite lattices sizes, the numerical integration of the SC-C
Externí odkaz:
http://arxiv.org/abs/2203.02450
Publikováno v:
Phys. Rev. B 105, 224304 (2022)
In this work we investigate the ability of the cumulant expansion (CE) to capture one-particle spectral information in electron-phonon coupled systems at both zero and finite temperatures. In particular, we present a comprehensive study of the second
Externí odkaz:
http://arxiv.org/abs/2203.02449
Autor:
Mohammadi, Esmaeil, Smith, Lonnie, Khan, Ali F., Lee, Benjamin, Spencer, Oslin, Muhammad, Fauziyya, Villeneuve, Lance M., Dunn, Ian F., Smith, Zachary A.
Publikováno v:
In World Neurosurgery: X July 2024 23
Autor:
Evans, Alexander R., Prather, Kiana Y., Battiste, James, Fung, Kar-Ming, Dunn, Ian F., Graffeo, Christopher S.
Publikováno v:
In World Neurosurgery May 2024 185:e1093-e1100
Autor:
Abdoli, Bahareh, Khoshtaghaza, Mohammad Hadi, Ghomi, Hamid, Torshizi, Mohammad Amir Karimi, Mehdizadeh, Saman Abdanan, Pishkar, Gholam, Dunn, Ian C.
Publikováno v:
In International Journal of Food Microbiology 30 January 2024 410
Autor:
Balasubramanian, Kishore, Andrade de Almeida, Romulo Augusto, Kharbat, Abdurrahman F., Haider, Ali S., Dunn, Ian F., Graffeo, Christopher S.
Publikováno v:
In World Neurosurgery October 2024