Frederick R Manby (Frederick Manby)

Publication Activity (10 Years)

Years Active: 2018-2023
Publications (10 Years): 14

Top Topics

Density Functional Theory

Walled Carbon Nanotubes

Energy Transfer

Top Venues

The Journal of chemical physics

Journal of chemical theory and computation

The journal of physical chemistry letters

Accounts of chemical research

This page only lists publications with an associated author ORCID identifier.

Publications

Oliver Feighan, Frederick R Manby, Susannah Bourne Worster
An efficient protocol for excited states of large biochromophores. The Journal of chemical physics 158 (2) (2023)
Anders S Christensen, Sai Krishna Sirumalla, Zhuoran Qiao, Michael B O'Connor, Daniel G A Smith, Feizhi Ding, Peter J Bygrave, Animashree Anandkumar, Matthew Welborn, Frederick R Manby, Thomas F Miller Iii
OrbNet Denali: A machine learning potential for biological and organic chemistry with semi-empirical cost and DFT accuracy. The Journal of chemical physics 155 (20) (2021)
Abigail C Dommer, Lorenzo Casalino, Fiona L Kearns, Mia A Rosenfeld, Nicholas A Wauer, Surl-Hee Ahn, John D Russo, Sofia Oliveira, Clare Morris, Anthony T Bogetti, Anda Trifan, Alexander Brace, Terra Sztain, Austin Clyde, Heng Ma, Chakra Chennubhotla, Hyungro Lee, Matteo Turilli, Syma Khalid, Teresa Tamayo-Mendoza, Matthew Welborn, Anders Christensen, Daniel G A Smith, Zhuoran Qiao, Sai Krishna Sirumalla, Michael O'Connor, Frederick R Manby, Anima Anandkumar, David Hardy, James Phillips, Abraham Stern, Josh Romero, David Clark, Mitchell Dorrell, Tom Maiden, Lei Huang, John McCalpin, Christopher Woods, Alan Gray, Matt Williams, Bryan Barker, Harinda Rajapaksha, Richard Pitts, Tom Gibbs, John E Stone, Daniel M Zuckerman, Adrian Mulholland, Thomas Miller, Shantenu Jha, Arvind Ramanathan, Lillian T Chong, Rommie Elizabeth Amaro
#COVIDisAirborne: AI-Enabled Multiscale Computational Microscopy of Delta SARS-CoV-2 in a Respiratory Aerosol. bioRxiv : the preprint server for biology (2021)
Susannah Bourne Worster, Oliver Feighan, Frederick R Manby
Reliable transition properties from excited-state mean-field calculations. The Journal of chemical physics 154 (12) (2021)
Zack M Williams, Timothy C Wiles, Frederick R Manby
Accurate Hybrid Density Functionals with UW12 Correlation. Journal of chemical theory and computation 16 (10) (2020)
Leanne D Chen, James J Lawniczak, Feizhi Ding, Peter J Bygrave, Saleh Riahi, Frederick R Manby, Sukrit Mukhopadhyay, Thomas F Miller Iii
Embedded Mean-Field Theory for Solution-Phase Transition-Metal Polyolefin Catalysis. Journal of chemical theory and computation 16 (7) (2020)
Sebastian J R Lee, Matthew Welborn, Frederick R Manby, Thomas F Miller Iii
Projection-Based Wavefunction-in-DFT Embedding. Accounts of chemical research 52 (5) (2019)
Hongyan Jiang, Marvin Kammler, Feizhi Ding, Yvonne Dorenkamp, Frederick R Manby, Alec M Wodtke, Thomas F Miller Iii, Alexander Kandratsenka, Oliver Bünermann
Imaging covalent bond formation by H atom scattering from graphene. Science (New York, N.Y.) 364 (6438) (2019)
Kara E Ranaghan, Darya Shchepanovska, Simon J Bennie, Narin Lawan, Stephen J Macrae, Jolanta Zurek, Frederick R Manby, Adrian J Mulholland
Projector-Based Embedding Eliminates Density Functional Dependence for QM/MM Calculations of Reactions in Enzymes and Solution. Journal of chemical information and modeling 59 (5) (2019)
Susannah Bourne Worster, Clement Stross, Felix M W C Vaughan, Noah Linden, Frederick R Manby
Structure and Efficiency in Bacterial Photosynthetic Light Harvesting. The journal of physical chemistry letters 10 (23) (2019)
Matthew Welborn, Frederick R Manby, Thomas F Miller Iii
Even-handed subsystem selection in projection-based embedding. The Journal of chemical physics 149 (14) (2018)
Robert C R Pennifold, Simon J Bennie, Thomas F Miller Iii, Frederick R Manby
Correcting density-driven errors in projection-based embedding. The Journal of chemical physics 146 (8) (2018)
Felix Vaughan, Noah Linden, Frederick R Manby
How Markovian is exciton dynamics in purple bacteria? The Journal of chemical physics 146 (12) (2018)
Timothy C Wiles, Frederick R Manby
Wavefunction-like Correlation Model for Use in Hybrid Density Functionals. Journal of chemical theory and computation 14 (9) (2018)