J. Spencer

发表

The khmer software package: enabling efficient nucleotide sequence analysis

Daniel Standage, Qingpeng Zhang, C. Titus Brown, 2015, F1000Research.

Efficient calculation of the exact exchange energy in periodic systems using a truncated Coulomb potential

A. Alavi, J. Spencer, 2008 .

Ab-Initio Solution of the Many-Electron Schrödinger Equation with Deep Neural Networks pdf

David Pfau, Alexander G. de G. Matthews, James S. Spencer, 2019, Physical Review Research.

Linear-scaling time-dependent density-functional theory in the linear response formalism.

T J Zuehlsdorff, N D M Hine, P D Haynes, 2013, The Journal of chemical physics.

The HANDE-QMC Project: Open-Source Stochastic Quantum Chemistry from the Ground State Up.

N. S. Blunt, W. A. Vigor, Charles J. C. Scott, 2018, Journal of chemical theory and computation.

The sign problem and population dynamics in the full configuration interaction quantum Monte Carlo method.

N. S. Blunt, J S Spencer, N S Blunt, 2011, The Journal of chemical physics.

Discovering Quantum Phase Transitions with Fermionic Neural Networks

D. Pfau, W. Foulkes, J. Spencer, 2022, ArXiv.

Pushing the frontiers of density functionals by solving the fractional electron problem

Alexander L. Gaunt, Alexander W. R. Nelson, David H. P. Turban, 2021, Science.

Developments in stochastic coupled cluster theory: The initiator approximation and application to the uniform electron gas.

A. Thom, J. Spencer, 2015, The Journal of chemical physics.

Better, Faster Fermionic Neural Networks pdf

David Pfau, Aleksandar Botev, James S. Spencer, 2020, ArXiv.

Discovering Quantum Phase Transitions with Fermionic Neural Networks

D. Pfau, W. Foulkes, J. Spencer, 2022, ArXiv.

Ab initio quantum chemistry with neural-network wavefunctions

D. Pfau, G. Carleo, A. Mezzacapo, 2022, Nature Reviews Chemistry.

Learned Force Fields Are Ready For Ground State Catalyst Discovery

P. Battaglia, J. Kirkpatrick, M. Rivière, 2022, ArXiv.

ipie: A Python-based Auxiliary-Field Quantum Monte Carlo Program with Flexibility and Efficiency on CPUs and GPUs

Joonho Lee, F. Malone, J. Spencer, 2022, 2209.04015.

Accelerated simulations of aromatic polymers: application to polyether ether ketone (PEEK)

A. Mostofi, J. Spencer, A. Sutton, 2014 .

Response to Comment on “Pushing the frontiers of density functionals by solving the fractional electron problem”

Alexander L. Gaunt, Alexander W. R. Nelson, David H. P. Turban, 2022, Science.

A Self-Attention Ansatz for Ab-initio Quantum Chemistry

Ingrid von Glehn, D. Pfau, J. Spencer, 2022, ArXiv.

ipie: A Python-Based Auxiliary-Field Quantum Monte Carlo Program with Flexibility and Efficiency on CPUs and GPUs.

Joonho Lee, F. Malone, J. Spencer, 2022, Journal of chemical theory and computation.

Discovering Quantum Phase Transitions with Fermionic Neural Networks

W. Foulkes, J. Spencer, N. Drummond, 2022, Physical review letters.

Accurate Exchange-Correlation Energies for the Warm Dense Electron Gas.

N. S. Blunt, N. Blunt, F. Malone, 2016, Physical review letters.

Interaction picture density matrix quantum Monte Carlo.

N. Blunt, F. Malone, W. Foulkes, 2015, The Journal of chemical physics.

Natural Orbitals for Wave Function Based Correlated Calculations Using a Plane Wave Basis Set.

George H. Booth, A. Alavi, G. Kresse, 2011, Journal of chemical theory and computation.

Understanding and improving the efficiency of full configuration interaction quantum Monte Carlo.

W. A. Vigor, W A Vigor, J S Spencer, 2016, The Journal of chemical physics.

Semi-stochastic full configuration interaction quantum Monte Carlo: Developments and application.

Ali Alavi, Simon D Smart, George H. Booth, 2015, The Journal of chemical physics.

Large scale parallelization in stochastic coupled cluster.

W. A. Vigor, Verena A. Neufeld, W A Vigor, 2018, The Journal of chemical physics.

Unloading the dice: Minimising biases in Full Configuration Interaction

Michael J. Bearpark, W. A. Vigor, Alex J. W. Thom, 2014 .

A Self-Attention Ansatz for Ab-initio Quantum Chemistry

Ingrid von Glehn, J. Spencer, David Pfau, 2022, ICLR.

Density-matrix quantum Monte Carlo method

N. S. Blunt, J. S. Spencer, W.M.C. Foulkes, 2013, 1303.5007.

Minimising biases in full configuration interaction quantum Monte Carlo.

W. A. Vigor, W A Vigor, J S Spencer, 2014, The Journal of chemical physics.

Sign problem in full configuration interaction quantum Monte Carlo: Linear and sublinear representation regimes for the exact wave function

Gustavo E. Scuseria, James S. Spencer, James J. Shepherd, 2014, 1407.4800.

The effect of quantization on the full configuration interaction quantum Monte Carlo sign problem.

J. S. Spencer, B. K. Clark, B. Clark, 2012, The Journal of chemical physics.

Dispersion interactions between semiconducting wires

A. Alavi, A. Stone, J. Spencer, 2010, 1005.1332.

Hubbard-like Hamiltonians for interacting electrons in s, p, and d orbitals

W. Foulkes, J. Spencer, S. Dudarev, 2015, 1507.04613.

Open-source development experiences in scientific software: the HANDE quantum Monte Carlo project

N. S. Blunt, W. A. Vigor, F. D. Malone, 2014 .

The khmer software package: enabling efficient nucleotide sequence analysis

Daniel S. Standage, Kevin D. Murray, Joshua R. Nahum, 2015, F1000Research.

Ab-Initio Solution of the Many-Electron Schrödinger Equation with Deep Neural Networks

W. Foulkes, J. Spencer, David Pfau, 2019, Physical Review Research.