Joshua Finkelstein

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All published works

Action	Title	Year	Authors
+ PDF Chat	Susceptibility formulation of density matrix perturbation theory	2024	Anders M. N. Niklasson Adela Habib Joshua Finkelstein Emanuel H. Rubensson
+ PDF Chat	Efficient Mixed-Precision Matrix Factorization of the Inverse Overlap Matrix in Electronic Structure Calculations with AI-Hardware and GPUs	2024	Adela Habib Joshua Finkelstein Anders M. N. Niklasson
+ PDF Chat	Hybrid programming-model strategies for GPU offloading of electronic structure calculation kernels	2024	Jean‐Luc Fattebert Christian F. A. Negre Joshua Finkelstein Jamaludin Mohd-Yusof Daniel Osei-Kuffuor Michael E. Wall Yu Zhang Nicolas Bock Susan M. Mniszewski
+ PDF Chat	A fast, dense Chebyshev solver for electronic structure on GPUs	2023	Joshua Finkelstein Christian F. A. Negre Jean‐Luc Fattebert
+ PDF Chat	Bringing discrete-time Langevin splitting methods into agreement with thermodynamics	2021	Joshua Finkelstein Chungho Cheng Giacomo Fiorin Benjamin Seibold Niels Grønbech‐Jensen
+	Quantum-based Molecular Dynamics Simulations using Tensor Cores	2021	Joshua Finkelstein Justin S. Smith Susan M. Mniszewski Kipton Barros Christian F. A. Negre Emanuel H. Rubensson Anders M. N. Niklasson
+	The challenge of stochastic Størmer–Verlet thermostats generating correct statistics	2020	Joshua Finkelstein Chungho Cheng Giacomo Fiorin Benjamin Seibold Niels Grønbech‐Jensen

Common Coauthors

Coauthor	Papers Together
Christian F. A. Negre	3
Anders M. N. Niklasson	2
Benjamin Seibold	2
Niels Grønbech‐Jensen	2
Giacomo Fiorin	2
Adela Habib	2
Jean‐Luc Fattebert	2
Chungho Cheng	2
Susan M. Mniszewski	2
Emanuel H. Rubensson	2
Michael E. Wall	1
Justin S. Smith	1
Yu Zhang	1
Daniel Osei-Kuffuor	1
Jamaludin Mohd-Yusof	1
Nicolas Bock	1
Anders M. N. Niklasson	1
Kipton Barros	1

Commonly Cited References

Action	Title	Year	Authors	# of times referenced
+ PDF Chat	A simple and effective Verlet-type algorithm for simulating Langevin dynamics	2013	Niels Grønbech‐Jensen Oded Farago	3
+ PDF Chat	Accurate configurational and kinetic statistics in discrete-time Langevin systems	2019	Lucas Frese Grønbech Jensen Niels Grønbech‐Jensen	3
+ PDF Chat	Expansion algorithm for the density matrix	2002	Anders M. N. Niklasson	3
+ PDF Chat	Graph-based linear scaling electronic structure theory	2016	Anders M. N. Niklasson Susan M. Mniszewski Christian F. A. Negre M. J. Cawkwell Pieter J. Swart Jamaludin Mohd-Yusof Timothy C. Germann Michael E. Wall Nicolas Bock Emanuel H. Rubensson	3
+ PDF Chat	Design of quasisymplectic propagators for Langevin dynamics	2007	Simone Melchionna	2
+ PDF Chat	Nonmonotonic Recursive Polynomial Expansions for Linear Scaling Calculation of the Density Matrix	2011	Emanuel H. Rubensson	2
+ PDF Chat	Implicit purification for temperature-dependent density matrices	2003	Anders M. N. Niklasson	2
+ PDF Chat	The effects of intrinsic dynamical ghost modes in discrete-time Langevin simulations	2019	Lucas Frese Grønbech Jensen Niels Grønbech‐Jensen	2
+ PDF Chat	Large Scale Quantum Chemistry with Tensor Processing Units	2022	Ryan Pederson John Kozlowski Ruyi Song Jackson Beall Martin Ganahl Markus Hauru Adam G. M. Lewis Yi Yao Shrestha Basu Mallick Volker Blüm	2
+ PDF Chat	A fast, dense Chebyshev solver for electronic structure on GPUs	2023	Joshua Finkelstein Christian F. A. Negre Jean‐Luc Fattebert	2
+ PDF Chat	Enabling particle applications for exascale computing platforms	2021	Susan M. Mniszewski J. Belak Jean‐Luc Fattebert Christian F. A. Negre Stuart Slattery Adetokunbo A. Adedoyin Robert Bird C. S. Chang Guangye Chen S. Ethier	2
+	Geometric numerical integration illustrated by the Störmer–Verlet method	2003	Ernst Hairer Christian Lubich Gerhard Wanner	2
+ PDF Chat	Accurate sampling using Langevin dynamics	2007	Giovanni Bussi Michele Parrinello	2
+ PDF Chat	Newton’s discrete dynamics	2020	Søren Toxværd	2
+ PDF Chat	Communication: Generalized canonical purification for density matrix minimization	2016	Lionel A. Truflandier Rivo M. Dianzinga David R. Bowler	2
+	Time Step Rescaling Recovers Continuous-Time Dynamical Properties for Discrete-Time Langevin Integration of Nonequilibrium Systems	2014	David A. Sivak John D. Chodera Gavin E. Crooks	2
+ PDF Chat	Stability of velocity-Verlet- and Liouville-operator-derived algorithms to integrate non-Hamiltonian systems	2018	Hiroshi Watanabe	2
+	The challenge of stochastic Størmer–Verlet thermostats generating correct statistics	2020	Joshua Finkelstein Chungho Cheng Giacomo Fiorin Benjamin Seibold Niels Grønbech‐Jensen	2
+	Quantum-Based Molecular Dynamics Simulations Using Tensor Cores	2021	Joshua Finkelstein Justin S. Smith Susan M. Mniszewski Kipton Barros Christian F. A. Negre Emanuel H. Rubensson Anders M. N. Niklasson	2
+ PDF Chat	Canonical sampling through velocity rescaling	2007	Giovanni Bussi Davide Donadio Michele Parrinello	2
+	On the Number of Nonscalar Multiplications Necessary to Evaluate Polynomials	1973	Michael S. Paterson Larry J. Stockmeyer	2
+ PDF Chat	Complete set of stochastic Verlet-type thermostats for correct Langevin simulations	2019	Niels Grønbech‐Jensen	2
+ PDF Chat	Comparison of modern Langevin integrators for simulations of coarse-grained polymer melts	2019	Joshua M. Finkelstein Giacomo Fiorin Benjamin Seibold	2
+ PDF Chat	Mixed Precision Fermi-Operator Expansion on Tensor Cores from a Machine Learning Perspective	2021	Joshua Finkelstein Justin S. Smith Susan M. Mniszewski Kipton Barros Christian F. A. Negre Emanuel H. Rubensson Anders M. N. Niklasson	2
+	Density-functional tight-binding for beginners	2009	Pekka Koskinen Ville Mäkinen	2
+	Algorithms for Brownian dynamics	2003	A. Ricci Giovanni Ciccotti	2
+ PDF Chat	The G‐JF Thermostat for Accurate Configurational Sampling in Soft‐Matter Simulations	2016	Evyatar Arad Oded Farago Niels Grønbech‐Jensen	2
+ PDF Chat	Rational Construction of Stochastic Numerical Methods for Molecular Sampling	2012	Benedict Leimkuhler Charles H. Matthews	2
+ PDF Chat	Application of the G-JF discrete-time thermostat for fast and accurate molecular simulations	2013	Niels Grønbech‐Jensen Natha Robert Hayre Oded Farago	2
+	Convergence acceleration of iterative sequences. the case of scf iteration	1980	Péter Pulay	1
+ PDF Chat	Integration schemes for dissipative particle dynamics simulations: From softly interacting systems towards hybrid models	2002	Ilpo Vattulainen Mikko Karttunen G. Besold James M. Polson	1
+	Higher-order symplectic integration in Born–Oppenheimer molecular dynamics	2009	Anders Odell Anna Delin Börje Johansson Nicolas Bock Matt Challacombe Anders M. N. Niklasson	1
+ PDF Chat	Tunable generic model for fluid bilayer membranes	2005	Ira Cooke Kurt Kremer Markus Deserno	1
+ PDF Chat	Generalized extended Lagrangian Born-Oppenheimer molecular dynamics	2014	Anders M. N. Niklasson M. J. Cawkwell	1
+ PDF Chat	Wave function extended Lagrangian Born-Oppenheimer molecular dynamics	2010	Peter Steneteg Igor A. Abrikosov Valéry Weber Anders M. N. Niklasson	1
+ PDF Chat	General order conditions for stochastic partitioned Runge–Kutta methods	2017	Sverre Anmarkrud Kristian Debrabant Anne Kværnø	1
+ PDF Chat	Inertial extended-Lagrangian scheme for solving charge equilibration models	2019	Itai Leven Teresa Head‐Gordon	1
+ PDF Chat	Statistical field theory	1989	R. F. Bishop	1
+ PDF Chat	Parallel eigensolvers in plane-wave Density Functional Theory	2014	Antoine Levitt Marc Torrent	1
+	Massively parallel symplectic algorithm for coupled magnetic spin dynamics and molecular dynamics	2018	Julien Tranchida Steven J. Plimpton Pascal Thibaudeau Aidan P. Thompson	1
+ PDF Chat	Stochastic density functional theory at finite temperatures	2018	Yael Cytter Eran Rabani Daniel Neuhauser Roi Baer	1
+	Next generation extended Lagrangian first principles molecular dynamics	2017	Anders M. N. Niklasson	1
+	Some multistep methods for use in molecular dynamics calculations	1976	David Beeman	1
+	Monitoring energy drift with shadow Hamiltonians	2005	Robert Engle Robert D. Skeel Matthew Drees	1
+ PDF Chat	Efficient Computation of Sparse Matrix Functions for Large-Scale Electronic Structure Calculations: The <scp>CheSS</scp> Library	2017	Stephan Mohr William Harbutt Dawson Michael Wagner Damien Caliste Takahito Nakajima Luigi Genovese	1
+ PDF Chat	A Density Functional Tight Binding Layer for Deep Learning of Chemical Hamiltonians	2018	Haichen Li Christopher R. Collins Matteus Tanha Geoffrey J. Gordon David Yaron	1
+ PDF Chat	Parameterless Stopping Criteria for Recursive Density Matrix Expansions	2016	Anastasia Kruchinina Elias Rudberg Emanuel H. Rubensson	1
+	BROWNIAN DYNAMICS SIMULATIONS WITHOUT GAUSSIAN RANDOM NUMBERS	1991	Burkhard Dünweg Wolfgang Paul	1
+ PDF Chat	Geometric numerical integration illustrated by the Störmer–Verlet method	2003	Ernst Hairer Christian Lubich Gerhard Wanner	1
+	On the Construction and Comparison of Difference Schemes	1968	Gilbert Strang	1