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3Importance of Polarizable Embedding for Computing Optical Rotation : The Case of Camphor in Ethanol
M. Nottoli, E. Vanich, L. Cupellini, G. Scalmani, C. Pelosi, and F. Lipparini. The journal of physical chemistry letters, 15 (31): 7992-7999 (2024)
a month ago by @unibiblio
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2Replication Data for: A symmetry-preserving and transferable representation for learning the Kohn-Sham density matrix
L. Zhang, P. Mazzeo, M. Nottoli, E. Cignoni, L. Cupellini, and B. Stamm. Dataset, (2025)Related to: Liwei Zhang, Patrizia Mazzeo, Michele Nottoli, Edoardo Cignoni, Lorenzo Cupellini, Benjamin Stamm (2025). A symmetry-preserving and transferable representation for learning the Kohn-Sham density matrix. arXiv: 2503.08400.
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2Two-Term Asymptotics of the Exchange Energy of the Electron Gas on Symmetric Polytopes in the High-Density Limit
T. Carvalho Corso. Mathematical physics, analysis and geometry, 27 (4): 17 (2024)
3 months ago by @unibiblio
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12ddX : Polarizable continuum solvation from small molecules to proteins
M. Nottoli, M. Herbst, A. Mikhalev, A. Jha, F. Lipparini, and B. Stamm. Wiley interdisciplinary reviews, 14 (4): e1726 (2024)
4 months ago by @unibiblio
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3The OpenMMPol library for polarizable QM/MM calculations of properties and dynamics
M. Bondanza, T. Nottoli, M. Nottoli, L. Cupellini, F. Lipparini, and B. Mennucci. The journal of chemical physics, 160 (13): 134106 (2024)
7 months ago by @unibiblio
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2Replication Data for: Grassmann Extrapolation for Accelerating Geometry Optimization
Z. Askarpour, M. Nottoli, and B. Stamm. Software, (2024)
7 months ago by @unibiblio
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1Replication Data for: Fully guaranteed and computable error bounds on the energy for periodic Kohn-Sham equations with convex density functionals
A. Bordignon, E. Cances, G. Dusson, G. Kemlin, R. Lainez Reyes, and B. Stamm. Software, (2024)Related to: A. Bordignon, E. Cancès, G. Dusson, G.Kemlin, R.A. Lainez Reyes, B. Stamm, Fully guaranteed and computable error bounds on the energy for periodic Kohn-Sham equations with convex density functionals, preprint.
8 months ago by @unibiblio
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3A Scalable Two-Level Domain Decomposition Eigensolver for Periodic Schrödinger Eigenstates in Anisotropically Expanding Domains
L. Theisen, and B. Stamm. SIAM journal on scientific computing, 46 (5): A3067-A3093 (2024)
10 months ago by @unibiblio
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2Domain Decomposition Method for Poisson-Boltzmann Equations based on Solvent Excluded Surface
A. Jha, and B. Stamm. Preprint, (2023)
10 months ago by @unibiblio
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2An integral equation approach to calculate electrostatic interactions in many-body dielectric systems
E. Lindgren, A. Stace, E. Polack, Y. Maday, B. Stamm, and E. Besley. Journal of computational physics, (2018)
10 months ago by @unibiblio
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2Embedded corrector problems for homogenization in linear elasticity
V. Ehrlacher, F. Legoll, B. Stamm, and S. Xiang. Preprint, (2023)
10 months ago by @unibiblio
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2A multipoint perturbation formula for eigenvalue problems
G. Dusson, L. Garrigue, and B. Stamm. Preprint, (2023)
10 months ago by @unibiblio
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3QM/AMOEBA description of properties and dynamics of embedded molecules
M. Nottoli, M. Bondanza, P. Mazzeo, L. Cupellini, C. Curutchet, D. Loco, L. Lagardère, J. Piquemal, B. Mennucci, and F. Lipparini. WIREs. Computational Molecular Science, 13 (6): e1674 (2023)
11 months ago by @unibiblio
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2Replication Data for: "Numerical simulation of the Gross-Pitaevskii equation via vortex tracking"
G. Kemlin, T. Carvalho Corso, B. Stamm, and C. Melcher. Software, (2024)Related to: T. Carvalho Corso, G. Kemlin, C. Melcher and B. Stamm. Numerical simulation of the Gross-Pitaevskii equation via vortex tracking. Preprint (2024). arXiv: 2404.02133.
12 months ago by @unibiblio
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7Replication Data for: "ddX: Polarizable Continuum Solvation from Small Molecules to Proteins"
M. Nottoli, M. Herbst, A. Mikhalev, A. Jha, F. Lipparini, and B. Stamm. Software, (2024)
a year ago by @unibiblio
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2A Quasi Time-Reversible Scheme Based on Density Matrix Extrapolation on the Grassmann Manifold for Born-Oppenheimer Molecular Dynamics
F. Pes, É. Polack, P. Mazzeo, G. Dusson, B. Stamm, and F. Lipparini. The journal of physical chemistry letters, 14 (43): 9720-9726 (2023)
a year ago by @unibiblio
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3Adaptive Grids in the Context of Algebraic Stabilizations for Convection-Diffusion-Reaction Equations
A. Jha, V. John, and P. Knobloch. SIAM journal on scientific computing, 45 (4): B564-B589 (2023)
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3Reduced basis surrogates for quantum spin systems based on tensor networks
P. Brehmer, M. Herbst, S. Wessel, M. Rizzi, and B. Stamm. Physical review. E, Statistical, nonlinear, and soft matter physics, 108 (2): 025306 (2023)
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3Numerical stability and efficiency of response property calculations in density functional theory
E. Cancès, M. Herbst, G. Kemlin, A. Levitt, and B. Stamm. Letters in mathematical physics, 113 (1): 21 (2023)
2 years ago by @unibiblio
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3Molecular Mechanics of Disordered Solids
F. Bamer, F. Ebrahem, B. Markert, and B. Stamm. Archives of computational methods in engineering, 30 (3): 2105-2180 (2023)
2 years ago by @unibiblio
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publications (hide)23
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3Importance of Polarizable Embedding for Computing Optical Rotation : The Case of Camphor in Ethanol

2Replication Data for: A symmetry-preserving and transferable representation for learning the Kohn-Sham density matrix

2Two-Term Asymptotics of the Exchange Energy of the Electron Gas on Symmetric Polytopes in the High-Density Limit

12ddX : Polarizable continuum solvation from small molecules to proteins

3The OpenMMPol library for polarizable QM/MM calculations of properties and dynamics

2Replication Data for: Grassmann Extrapolation for Accelerating Geometry Optimization

1Replication Data for: Fully guaranteed and computable error bounds on the energy for periodic Kohn-Sham equations with convex density functionals

3A Scalable Two-Level Domain Decomposition Eigensolver for Periodic Schrödinger Eigenstates in Anisotropically Expanding Domains

2Domain Decomposition Method for Poisson-Boltzmann Equations based on Solvent Excluded Surface

2An integral equation approach to calculate electrostatic interactions in many-body dielectric systems

2Embedded corrector problems for homogenization in linear elasticity

2A multipoint perturbation formula for eigenvalue problems

3QM/AMOEBA description of properties and dynamics of embedded molecules

2Replication Data for: "Numerical simulation of the Gross-Pitaevskii equation via vortex tracking"

7Replication Data for: "ddX: Polarizable Continuum Solvation from Small Molecules to Proteins"

2A Quasi Time-Reversible Scheme Based on Density Matrix Extrapolation on the Grassmann Manifold for Born-Oppenheimer Molecular Dynamics

3Adaptive Grids in the Context of Algebraic Stabilizations for Convection-Diffusion-Reaction Equations

3Reduced basis surrogates for quantum spin systems based on tensor networks

3Numerical stability and efficiency of response property calculations in density functional theory

3Molecular Mechanics of Disordered Solids

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