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Fionn D Malone

Showing results (1-10 of 21) with videos related to

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The Journal of Chemical Physics|November 21, 2020
Accelerating the convergence of auxiliary-field quantum Monte Carlo in solids with optimized Gaussian basis setsMiguel A Morales, Fionn D Malone
The Journal of Chemical Physics|October 2, 2020
The performance of phaseless auxiliary-field quantum Monte Carlo on the ground state electronic energy of benzeneJoonho Lee, Fionn D Malone, David R Reichman
Journal of Chemical Theory and Computation|December 20, 2018
Overcoming the Memory Bottleneck in Auxiliary Field Quantum Monte Carlo Simulations with Interpolative Separable Density FittingFionn D Malone, Shuai Zhang, Miguel A Morales
Journal of Chemical Theory and Computation|April 15, 2020
Utilizing Essential Symmetry Breaking in Auxiliary-Field Quantum Monte Carlo: Application to the Spin Gaps of the C<sub>36</sub> Fullerene and an Iron Porphyrin Model ComplexJoonho Lee, Fionn D Malone, Miguel A Morales
The Journal of Chemical Physics|November 3, 2018
Auxiliary-field quantum Monte Carlo calculations of the structural properties of nickel oxideShuai Zhang, Fionn D Malone, Miguel A Morales
Journal of Chemical Theory and Computation|May 22, 2020
Accelerating Auxiliary-Field Quantum Monte Carlo Simulations of Solids with Graphical Processing UnitsFionn D Malone, Shuai Zhang, Miguel A Morales
The Journal of Chemical Physics|February 16, 2021
A phaseless auxiliary-field quantum Monte Carlo perspective on the uniform electron gas at finite temperatures: Issues, observations, and benchmark studyJoonho Lee, Miguel A Morales, Fionn D Malone
Journal of Chemical Theory and Computation|December 12, 2022
ipie: A Python-Based Auxiliary-Field Quantum Monte Carlo Program with Flexibility and Efficiency on CPUs and GPUsFionn D Malone, Ankit Mahajan, James S Spencer, et al.
Journal of Chemical Theory and Computation|May 13, 2021
Spectral Functions from Auxiliary-Field Quantum Monte Carlo without Analytic Continuation: The Extended Koopmans' Theorem ApproachJoonho Lee, Fionn D Malone, Miguel A Morales, et al.
Journal of Chemical Theory and Computation|January 17, 2020
Using Density Matrix Quantum Monte Carlo for Calculating Exact-on-Average Energies for <i>ab Initio</i> Hamiltonians in a Finite Basis SetHayley R Petras, Sai Kumar Ramadugu, Fionn D Malone, et al.
Pageof 3

Showing results (1-10 of 21) with videos related to

Sort By:
Pageof 3
The Journal of Chemical Physics|November 21, 2020
Accelerating the convergence of auxiliary-field quantum Monte Carlo in solids with optimized Gaussian basis setsMiguel A Morales, Fionn D Malone
The Journal of Chemical Physics|October 2, 2020
The performance of phaseless auxiliary-field quantum Monte Carlo on the ground state electronic energy of benzeneJoonho Lee, Fionn D Malone, David R Reichman
Journal of Chemical Theory and Computation|December 20, 2018
Overcoming the Memory Bottleneck in Auxiliary Field Quantum Monte Carlo Simulations with Interpolative Separable Density FittingFionn D Malone, Shuai Zhang, Miguel A Morales
Journal of Chemical Theory and Computation|April 15, 2020
Utilizing Essential Symmetry Breaking in Auxiliary-Field Quantum Monte Carlo: Application to the Spin Gaps of the C<sub>36</sub> Fullerene and an Iron Porphyrin Model ComplexJoonho Lee, Fionn D Malone, Miguel A Morales
The Journal of Chemical Physics|November 3, 2018
Auxiliary-field quantum Monte Carlo calculations of the structural properties of nickel oxideShuai Zhang, Fionn D Malone, Miguel A Morales
Journal of Chemical Theory and Computation|May 22, 2020
Accelerating Auxiliary-Field Quantum Monte Carlo Simulations of Solids with Graphical Processing UnitsFionn D Malone, Shuai Zhang, Miguel A Morales
The Journal of Chemical Physics|February 16, 2021
A phaseless auxiliary-field quantum Monte Carlo perspective on the uniform electron gas at finite temperatures: Issues, observations, and benchmark studyJoonho Lee, Miguel A Morales, Fionn D Malone
Journal of Chemical Theory and Computation|December 12, 2022
ipie: A Python-Based Auxiliary-Field Quantum Monte Carlo Program with Flexibility and Efficiency on CPUs and GPUsFionn D Malone, Ankit Mahajan, James S Spencer, et al.
Journal of Chemical Theory and Computation|May 13, 2021
Spectral Functions from Auxiliary-Field Quantum Monte Carlo without Analytic Continuation: The Extended Koopmans' Theorem ApproachJoonho Lee, Fionn D Malone, Miguel A Morales, et al.
Journal of Chemical Theory and Computation|January 17, 2020
Using Density Matrix Quantum Monte Carlo for Calculating Exact-on-Average Energies for <i>ab Initio</i> Hamiltonians in a Finite Basis SetHayley R Petras, Sai Kumar Ramadugu, Fionn D Malone, et al.
Pageof 3