Publications by authors named "Joshua Finkelstein"

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GPU-Accelerated Graph-Based Semiempirical Quantum Chemistry.
Maksim Kulichenko, Robert M Stanton, Cheng-Han Li, Nicholas Lubbers, Sergei Tretiak, Joshua Finkelstein

J Chem Theory Comput· November 2025

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Shadow Molecular Dynamics with a Machine Learned Flexible Charge Potential.
Cheng-Han Li, Mehmet Cagri Kaymak, Maksim Kulichenko, Nicholas Lubbers, Benjamin T Nebgen, Joshua Finkelstein

J Chem Theory Comput· April 2025

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Susceptibility formulation of density matrix perturbation theory.
Anders M N Niklasson, Adela Habib, Joshua D Finkelstein, Emanuel H Rubensson

J Chem Phys· December 2024

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Efficient Mixed-Precision Matrix Factorization of the Inverse Overlap Matrix in Electronic Structure Calculations with AI-Hardware and GPUs.
Adela Habib, Joshua Finkelstein, Anders M N Niklasson

J Chem Theory Comput· August 2024

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Hybrid programming-model strategies for GPU offloading of electronic structure calculation kernels.
Jean-Luc Fattebert, Christian F A Negre, Joshua Finkelstein, Jamaludin Mohd-Yusof, Daniel Osei-Kuffuor

J Chem Phys· March 2024

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A fast, dense Chebyshev solver for electronic structure on GPUs.
Joshua Finkelstein, Christian F A Negre, Jean-Luc Fattebert

J Chem Phys· September 2023

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A methodology to generate crystal-based molecular structures for atomistic simulations.
Christian F A Negre, Andrew Alvarado, Himanshu Singh, Joshua Finkelstein, Enrique Martinez

J Phys Condens Matter· March 2023

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Quantum Perturbation Theory Using Tensor Cores and a Deep Neural Network.
Joshua Finkelstein, Emanuel H Rubensson, Susan M Mniszewski, Christian F A Negre, Anders M N Niklasson

J Chem Theory Comput· July 2022

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Bioelectrosynthesis systems.
Joshua Finkelstein, James Swartz, Mattheos Koffas

Curr Opin Biotechnol· April 2022

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Bringing discrete-time Langevin splitting methods into agreement with thermodynamics.
Joshua Finkelstein, Chungho Cheng, Giacomo Fiorin, Benjamin Seibold, Niels Grønbech-Jensen

J Chem Phys· November 2021

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Quantum-Based Molecular Dynamics Simulations Using Tensor Cores.
Joshua Finkelstein, Justin S Smith, Susan M Mniszewski, Kipton Barros, Christian F A Negre

J Chem Theory Comput· October 2021

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Mixed Precision Fermi-Operator Expansion on Tensor Cores from a Machine Learning Perspective.
Joshua Finkelstein, Justin S Smith, Susan M Mniszewski, Kipton Barros, Christian F A Negre

J Chem Theory Comput· April 2021

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Modeling Drug Absorption from the Dermis after an Injection.
Zhi Li, Abhijit Biswas, Joshua Finkelstein, Stephan Grein, Yash Kapoor

J Pharm Sci· March 2021

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The challenge of stochastic Størmer-Verlet thermostats generating correct statistics.
Joshua Finkelstein, Chungho Cheng, Giacomo Fiorin, Benjamin Seibold, Niels Grønbech-Jensen

J Chem Phys· October 2020

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Space travel has effects on planarian regeneration that cannot be explained by a null hypothesis.
Michael Levin, Junji Morokuma, Joshua Finkelstein

Regeneration (Oxf)· August 2017

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Endogenous Bioelectric Signaling Networks: Exploiting Voltage Gradients for Control of Growth and Form.
Michael Levin, Giovanni Pezzulo, Joshua M Finkelstein

Annu Rev Biomed Eng· June 2017

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Planarian regeneration in space: Persistent anatomical, behavioral, and bacteriological changes induced by space travel.
Junji Morokuma, Fallon Durant, Katherine B Williams, Joshua M Finkelstein, Douglas J Blackiston

Regeneration (Oxf)· April 2017

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Epigenomics: Massive ATAC.
Joshua M Finkelstein

Nat Chem Biol· November 2016

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The protein world.
Joshua Finkelstein, Alex Eccleston, Sadaf Shadan

Nature· September 2016

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Lipids in health and disease.
Joshua Finkelstein, Marie-Thérèse Heemels, Sadaf Shadan, Ursula Weiss

Nature· June 2014

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Metabolism and disease.
Joshua Finkelstein, Noah Gray, Marie Thérèse Heemels, Barbara Marte, Deepa Nath

Nature· November 2012

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Chemistry and energy.
Rosamund Daw, Joshua Finkelstein, Magdalena Helmer

Nature· August 2012

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Metalloproteins.
Joshua Finkelstein

Nature· August 2009

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Small-molecule catalysis.
Andrew Mitchinson, Joshua Finkelstein

Nature· September 2008

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Parasitology: peculiar lipid production.
Joshua M Finkelstein

Nature· August 2006

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