CP
Carlo Pierleoni
cond-mat.mtrl-scicond-mat.stat-mechcond-mat.softphysics.comp-phcond-mat.str-elphysics.chem-phModels, Molecularphysics.bio-phMicellescond-mat.mes-hall
On Valency
published · living versionsW_2cfb5spj·v1 · currentpublished
Benchmark of Exchange-Correlation Functionals for High Pressure Hydrogen using Quantum Monte Carlo
with Raymond C. Clay, Jeremy B. McMinis, Jeffrey M. McMahon, David M. Ceperley +1
1 version
Preprints & journals
83 papers in the corpus · 1991–2026Ion-specific anomalous water diffusion in aqueous electrolytes: A machine-learned many-body force field study with MACE.42484040 · Ciacchi, Massimo, Saitov, Ilnur, Di Fonte, Nico et al.2026 · 1 citationThe Journal of chemical physics. 2026;165(4)
Liquid-liquid phase transition of hydrogen and its critical point: Analysis from ab initio simulation and a machine-learned potential.40411000 · Istas, Mathieu, Jensen, Scott, Yang, Yubo et al.2025 · 13 citationsPhysical review. E. 2025;111(4-2):045307
High temperature melting of dense molecular hydrogen from machine-learning interatomic potentials trained on quantum Monte Carlo.39907135 · Goswami, Shubhang, Jensen, Scott, Yang, Yubo et al.2025 · 9 citationsThe Journal of chemical physics. 2025;162(5)
The liquid-liquid phase transition of hydrogen and its critical point: Analysis from ab initio simulation and a machine-learned potential2412.14953v1 · Mathieu Istas, Scott Jensen, Yubo Yang et al.2024 · 0 citationsarXiv
First principles simulations of dense hydrogen2405.10627v1 · Michael Bonitz, Jan Vorberger, Mandy Bethkenhagen et al.2024 · 92 citationsarXiv
Electronic excitation spectra of molecular hydrogen in Phase I from Quantum Monte Carlo and Many-Body perturbation methods2311.08506v2 · Vitaly Gorelov, Markus Holzmann, David M. Ceperley et al.2023 · 2 citationsarXiv
Training models using forces computed by stochastic electronic structure methods2310.15994v1 · David M. Ceperley, Scott Jensen, Yubo Yang et al.2023 · 13 citationsElectron. Struct. 6 (2024) 015011
Neutral band gap of carbon by quantum Monte Carlo methods2303.17944v2 · V. Gorelov, Y. Yang, M. Ruggeri et al.2023 · 4 citationsCondensed Matter Physics, 2023, vol. 26, No. 3, 33701
Stable Solid Molecular Hydrogen above 900 K from a Machine-Learned Potential Trained with Diffusion Quantum Monte Carlo.36867819 · Niu, Hongwei, Yang, Yubo, Jensen, Scott et al.2023 · 44 citationsPhysical review letters. 2023;130(7):076102
Multi-scale simulation of the adsorption of lithium ion on graphite surface: From quantum Monte Carlo to molecular density functional theory.35259900 · Ruggeri, Michele, Reeves, Kyle, Hsu, Tzu-Yao et al.2022 · 9 citationsThe Journal of chemical physics. 2022;156(9):094709
The 2021 room-temperature superconductivity roadmap.34544070 · Boeri, Lilia, Hennig, Richard, Hirschfeld, Peter et al.2024 · 210 citationsJournal of physics. Condensed matter : an Institute of Physics journal. 2022;34(18)
Electronic structure and optical properties of quantum crystals from first principles calculations in the Born-Oppenheimer approximation.33353339 · Gorelov, Vitaly, Ceperley, David M, Holzmann, Markus et al.2020 · 13 citationsThe Journal of chemical physics. 2020;153(23):234117
Electronic energy gap closure and metal-insulator transition in dense liquid hydrogen2009.00652v1 · Vitaly Gorelov, David M. Ceperley, Markus Holzmann et al.2020 · 18 citationsPhys. Rev. B 102, 195133 (2020)
Quantum Monte Carlo determination of the principal Hugoniot of deuterium2008.00269v1 · Michele Ruggeri, Markus Holzmann, David M. Ceperley et al.2020 · 8 citationsPhys. Rev. B 102, 144108 (2020)
Velocity autocorrelations across the molecular-atomic fluid transformation in hydrogen under pressure2005.12718v1 · G. Ruocco, T. Bryk, C. Pierleoni et al.2020 · 5 citationsCondens. Matter Phys., 2020, vol. 23, No. 2, 23607
Energy Gap Closure of Crystalline Molecular Hydrogen with Pressure.32242714 · Gorelov, Vitaly, Holzmann, Markus, Ceperley, David M et al.2020 · 39 citationsPhysical review letters. 2020;124(11):116401
Electronic band gaps from Quantum Monte Carlo methods1910.07531v2 · Yubo Yang, Vitaly Gorelov, Carlo Pierleoni et al.2019 · 40 citationsPhys. Rev. B 101, 085115 (2020)
Filament flexibility enhances power transduction of F-actin bundles.31091907 · Perilli, Alessia, Pierleoni, Carlo, Ryckaert, Jean-Paul2019 · 4 citationsThe Journal of chemical physics. 2019;150(18):185101
Optical properties of high-pressure fluid hydrogen across molecular dissociation.31040212 · Rillo, Giovanni, Morales, Miguel A, Ceperley, David M et al.2023 · 40 citationsProceedings of the National Academy of Sciences of the United States of America. 2019;116(20):9770-9774
Benchmarking vdW-DF first principle predictions against Coupled Electron-Ion Monte Carlo for high pressure liquid hydrogen1812.07818v1 · Vitaly Gorelov, Carlo Pierleoni, David M. Ceperley2018 · 13 citationsarXiv
Coupled electron-ion Monte Carlo simulation of hydrogen molecular crystals.29544324 · Rillo, Giovanni, Morales, Miguel A, Ceperley, David M et al.2018 · 48 citationsThe Journal of chemical physics. 2018;148(10):102314
Electron localization properties in high pressure hydrogen at the liquid-liquid phase transition by Coupled Electron-Ion Monte Carlo1712.00392v1 · Carlo Pierleoni, Giovanni Rillo, David M. Ceperley et al.2017 · 9 citationsarXiv
Local structure in dense hydrogen at the liquid-liquid phase transition by Coupled Electron-Ion Monte Carlo1711.00702v1 · Carlo Pierleoni, Markus Holzmann, David M. Ceperley2017 · 25 citationsarXiv
On the force--velocity relationship of a bundle of rigid living filaments1708.07027v1 · Alessia Perilli, Carlo Pierleoni, Giovanni Ciccotti et al.2017 · 6 citationsarXiv
Particle-Based Modeling of Living Actin Filaments in an Optical Trap.30974617 · Hunt, Thomas A, Mogurampelly, Santosh, Ciccotti, Giovanni et al.2020 · 2 citationsPolymers. 2016;8(9)
On the properties of a bundle of flexible actin filaments in an optical trap.27369544 · Perilli, Alessia, Pierleoni, Carlo, Ciccotti, Giovanni et al.2017 · 4 citationsThe Journal of chemical physics. 2016;144(24):245102
Liquid-liquid phase transition in hydrogen by coupled electron-ion Monte Carlo simulations.27099295 · Pierleoni, Carlo, Morales, Miguel A, Rillo, Giovanni et al.2016 · 127 citationsProceedings of the National Academy of Sciences of the United States of America. 2016;113(18):4953-7
Theory of Finite Size Effects for Electronic Quantum Monte Carlo Calculations of Liquids and Solids1603.03957v2 · Markus Holzmann, Raymond C. Clay III, Miguel A. Morales et al.2016 · 120 citationsPhys. Rev. B 94, 035126 (2016)
Probabilistic Derivation of Spatiotemporal Correlation Functions in the Hydrodynamic Limit.26720838 · Ciccotti, Giovanni, Bonella, Sara, Ferrario, Mauro et al.2016 · 2 citationsThe journal of physical chemistry. B. 2016;120(8):1996-2000
Erratum: "Phase diagram of mixtures of colloids and polymers in the thermal crossover from good to θ solvent" [J. Chem. Phys. 141, 024902 (2014)].26493929 · D'Adamo, Giuseppe, Pelissetto, Andrea, Pierleoni, Carlo2016 · 1 citationThe Journal of chemical physics. 2015;143(15):159903
A semi-flexible model prediction for the polymerization force exerted by a living F-actin filament on a fixed wall.26472399 · Pierleoni, Carlo, Ciccotti, Giovanni, Ryckaert, Jean-Paul2016 · 6 citationsThe Journal of chemical physics. 2015;143(14):145101
Molecular-Atomic Transition along the Deuterium Hugoniot Curve with Coupled Electron-Ion Monte Carlo Simulations.26252690 · Tubman, Norm M, Liberatore, Elisa, Pierleoni, Carlo et al.2015 · 42 citationsPhysical review letters. 2015;115(4):045301
Integral-equation analysis of single-site coarse-grained models for polymer-colloid mixtures1502.00428v1 · Roberto Menichetti, Andrea Pelissetto, Giuseppe D'Adamo et al.2015 · 2 citationsarXiv
Coarse-graining polymer solutions: a critical appraisal of single- and multi-site models1501.01046v1 · Giuseppe D'Adamo, Roberto Menichetti, Andrea Pelissetto et al.2015 · 14 citationsarXiv
Accurate coarse-grained models for mixtures of colloids and linear polymers under good-solvent conditions.25554178 · D'Adamo, Giuseppe, Pelissetto, Andrea, Pierleoni, Carlo2015 · 8 citationsThe Journal of chemical physics. 2014;141(24):244905
Phase diagram of mixtures of colloids and polymers in the thermal crossover from good to θ solvent.25028041 · D'Adamo, Giuseppe, Pelissetto, Andrea, Pierleoni, Carlo2015 · 12 citationsThe Journal of chemical physics. 2014;141(2):024902
Depletion effects in colloid-polymer solutions1405.0978v1 · Giuseppe D'Adamo, Andrea Pelissetto, Carlo Pierleoni2014 · 11 citationsMolecular Physics, 111, 3372 (2013)
Benchmark of Exchange-Correlation Functionals for High Pressure Hydrogen using Quantum Monte Carlo1401.7365v2 · Raymond C. Clay, Jeremy B. McMinis, Jeffrey M. McMahon et al.2014 · 97 citationsarXivon Valency
Consistent coarse-graining strategy for polymer solutions in the thermal crossover from good to θ solvent.23883051 · D'Adamo, Giuseppe, Pelissetto, Andrea, Pierleoni, Carlo2014 · 8 citationsThe Journal of chemical physics. 2013;139(3):034901
Predicting the thermodynamics by using state-dependent interactions.23802951 · D'Adamo, Giuseppe, Pelissetto, Andrea, Pierleoni, Carlo2014 · 39 citationsThe Journal of chemical physics. 2013;138(23):234107
Towards a Predictive First-Principles Description of Solid Molecular Hydrogen with Density-Functional Theory1303.6673v1 · M. A. Morales, J. M. McMahon, C. Pierleoni et al.2013 · 85 citationsarXiv
Nuclear quantum effects and nonlocal exchange-correlation functionals applied to liquid hydrogen at high pressure.23432276 · Morales, Miguel A, McMahon, Jeffrey M, Pierleoni, Carlo et al.2013 · 181 citationsPhysical review letters. 2013;110(6):065702
Consistent and transferable coarse-grained model for semidilute polymer solutions in good solvent.22803556 · D'Adamo, Giuseppe, Pelissetto, Andrea, Pierleoni, Carlo2012 · 10 citationsThe Journal of chemical physics. 2012;137(2):024901
Polymers as compressible soft spheres.22713071 · D'Adamo, Giuseppe, Pelissetto, Andrea, Pierleoni, Carlo2012 · 18 citationsThe Journal of chemical physics. 2012;136(22):224905
Momentum distribution of the homogeneous electron gas.22026651 · Holzmann, Markus, Bernu, Bernard, Pierleoni, Carlo et al.2012 · 73 citationsPhysical review letters. 2011;107(11):110402
Free energy methods in Coupled Electron Ion Monte Carlo1109.0558v1 · Elisa Liberatore, Miguel A. Morales, David M. Ceperley et al.2011 · 21 citationsarXiv
Liquid-solid transition in fully ionized hydrogen at ultra-high pressures.21568519 · Liberatore, Elisa, Pierleoni, Carlo, Ceperley, D M2011 · 19 citationsThe Journal of chemical physics. 2011;134(18):184505
Crystalline free energies of micelles of diblock copolymer solutions.21133452 · D'Adamo, Giuseppe, Pierleoni, Carlo2011 · 3 citationsThe Journal of chemical physics. 2010;133(20):204902
Path integral based calculations of symmetrized time correlation functions. I.21033772 · Bonella, S, Monteferrante, M, Pierleoni, C et al.2011 · 49 citationsThe Journal of chemical physics. 2010;133(16):164104
Path integral based calculations of symmetrized time correlation functions. II.21033773 · Bonella, S, Monteferrante, M, Pierleoni, C et al.2011 · 18 citationsThe Journal of chemical physics. 2010;133(16):164105
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