Coupled electron-ion Monte Carlo simulation of hydrogen molecular crystals
Rillo, Giovanni, Morales, Miguel A, Ceperley, David M, Pierleoni, Carlo
Published in The Journal of chemical physics (14.03.2018)
Published in The Journal of chemical physics (14.03.2018)
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Journal Article
Utilizing Essential Symmetry Breaking in Auxiliary-Field Quantum Monte Carlo: Application to the Spin Gaps of the C36 Fullerene and an Iron Porphyrin Model Complex
Lee, Joonho, Malone, Fionn D, Morales, Miguel A
Published in Journal of chemical theory and computation (12.05.2020)
Published in Journal of chemical theory and computation (12.05.2020)
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Journal Article
On the accuracy of the MB-pol many-body potential for water: Interaction energies, vibrational frequencies, and classical thermodynamic and dynamical properties from clusters to liquid water and ice
Reddy, Sandeep K, Straight, Shelby C, Bajaj, Pushp, Huy Pham, C, Riera, Marc, Moberg, Daniel R, Morales, Miguel A, Knight, Chris, Götz, Andreas W, Paesani, Francesco
Published in The Journal of chemical physics (21.11.2016)
Published in The Journal of chemical physics (21.11.2016)
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Journal Article
The RAGE/multiligand axis: a new actor in tumor biology
Rojas, Armando, Schneider, Ivan, Lindner, Cristian, Gonzalez, Ileana, Morales, Miguel A
Published in Bioscience reports (01.07.2022)
Published in Bioscience reports (01.07.2022)
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Journal Article
Auxiliary-field quantum Monte Carlo calculations of the structural properties of nickel oxide
Zhang, Shuai, Malone, Fionn D, Morales, Miguel A
Published in The Journal of chemical physics (28.10.2018)
Published in The Journal of chemical physics (28.10.2018)
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Journal Article
Utilizing Essential Symmetry Breaking in Auxiliary-Field Quantum Monte Carlo: Application to the Spin Gaps of the C 36 Fullerene and an Iron Porphyrin Model Complex
Lee, Joonho, Malone, Fionn D, Morales, Miguel A
Published in Journal of chemical theory and computation (12.05.2020)
Published in Journal of chemical theory and computation (12.05.2020)
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Journal Article
Tensor hypercontraction for fully self-consistent imaginary-time GF2 and GWSOX methods: Theory, implementation, and role of the Green's function second-order exchange for intermolecular interactions
Pokhilko, Pavel, Yeh, Chia-Nan, Morales, Miguel A, Zgid, Dominika
Published in The Journal of chemical physics (28.08.2024)
Published in The Journal of chemical physics (28.08.2024)
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Journal Article