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Current Opinion in Biotechnology|January 3, 2022
Bioelectrosynthesis systemsJoshua Finkelstein, James Swartz, Mattheos KoffasJournal of Chemical Theory and Computation|August 13, 2024
Efficient Mixed-Precision Matrix Factorization of the Inverse Overlap Matrix in Electronic Structure Calculations with AI-Hardware and GPUsAdela Habib, Joshua Finkelstein, Anders M N NiklassonThe Journal of Chemical Physics|September 11, 2023
A fast, dense Chebyshev solver for electronic structure on GPUsJoshua Finkelstein, Christian F A Negre, Jean-Luc FattebertThe Journal of Chemical Physics|October 9, 2020
The challenge of stochastic Størmer-Verlet thermostats generating correct statisticsJoshua Finkelstein, Chungho Cheng, Giacomo Fiorin, et al.The Journal of Chemical Physics|November 14, 2021
Bringing discrete-time Langevin splitting methods into agreement with thermodynamicsJoshua Finkelstein, Chungho Cheng, Giacomo Fiorin, et al.Journal of Physics. Condensed Matter : an Institute of Physics Journal|March 8, 2023
A methodology to generate crystal-based molecular structures for atomistic simulationsChristian F A Negre, Andrew Alvarado, Himanshu Singh, et al.Journal of Pharmaceutical Sciences|November 28, 2020
Modeling Drug Absorption from the Dermis after an InjectionZhi Li, Abhijit Biswas, Joshua Finkelstein, et al.Journal of Chemical Theory and Computation|June 7, 2022
Quantum Perturbation Theory Using Tensor Cores and a Deep Neural NetworkJoshua Finkelstein, Emanuel H Rubensson, Susan M Mniszewski, et al.Journal of Chemical Theory and Computation|October 1, 2021
Quantum-Based Molecular Dynamics Simulations Using Tensor CoresJoshua Finkelstein, Justin S Smith, Susan M Mniszewski, et al.Journal of Chemical Theory and Computation|April 2, 2021
Mixed Precision Fermi-Operator Expansion on Tensor Cores from a Machine Learning PerspectiveJoshua Finkelstein, Justin S Smith, Susan M Mniszewski, et al.Pageof 2