Alfred Nordman

Parameters, Potentials and Probabilistic Methods in Molecular Modeling

Nordman, Alfred Torsten

2026

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Bayesian three-point water models

Nordman, Alfred T.; Engblom, Stefan; Van der Spoel, David

Part of npj Computational Materials, 2025

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Evolutionary machine learning of physics-based force fields in high-dimensional parameter-space

Van der Spoel, David; Marrades, Julián; Kriz, Kristian; Hosseini, A. Najla et al.

Part of Digital Discovery, p. 1925-1935, 2025

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An Imbalance in the Force: The Need for Standardized Benchmarks for Molecular Simulation

Kříž, Kristian; Schmidt, Lisa; Andersson, Alfred T.; Walz, Marie-Madeleine et al.

Part of Journal of Chemical Information and Modeling, p. 412-431, 2023

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Theoretical Infrared Spectra: Quantitative Similarity Measures and Force Fields

Henschel, Henning; Andersson, Alfred T.; Jespers, Willem; Ghahremanpour, Mohammad Mehdi et al.

Part of Journal of Chemical Theory and Computation, p. 3307-3315, 2020

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Bayesian three-point water models

Nordman, Alfred T.; Engblom, Stefan; Van der Spoel, David

Part of npj Computational Materials, 2025

• DOI for Bayesian three-point water models
• Download full text (pdf) of Bayesian three-point water models

Evolutionary machine learning of physics-based force fields in high-dimensional parameter-space

Van der Spoel, David; Marrades, Julián; Kriz, Kristian; Hosseini, A. Najla et al.

Part of Digital Discovery, p. 1925-1935, 2025

• DOI for Evolutionary machine learning of physics-based force fields in high-dimensional parameter-space
• Download full text (pdf) of Evolutionary machine learning of physics-based force fields in high-dimensional parameter-space

Theoretical Infrared Spectra: Quantitative Similarity Measures and Force Fields

Henschel, Henning; Andersson, Alfred T.; Jespers, Willem; Ghahremanpour, Mohammad Mehdi et al.

Part of Journal of Chemical Theory and Computation, p. 3307-3315, 2020

• DOI for Theoretical Infrared Spectra: Quantitative Similarity Measures and Force Fields
• Download full text (pdf) of Theoretical Infrared Spectra: Quantitative Similarity Measures and Force Fields

An Imbalance in the Force: The Need for Standardized Benchmarks for Molecular Simulation

Kříž, Kristian; Schmidt, Lisa; Andersson, Alfred T.; Walz, Marie-Madeleine et al.

Part of Journal of Chemical Information and Modeling, p. 412-431, 2023

• DOI for An Imbalance in the Force: The Need for Standardized Benchmarks for Molecular Simulation
• Download full text (pdf) of An Imbalance in the Force: The Need for Standardized Benchmarks for Molecular Simulation

Parameters, Potentials and Probabilistic Methods in Molecular Modeling

Nordman, Alfred Torsten

2026

• Download full text (pdf) of Parameters, Potentials and Probabilistic Methods in Molecular Modeling

Bayesian Modeling of Polarizable Water: Lessons for Force Field Development

Nordman, Alfred T.; Engblom, Stefan; van der Spoel, David

Systematic Increase of Force Field Accuracy using the Alexandria Chemistry Toolkit

Nordman, Alfred T.; Rosenbaum, Måns K.; van der Spoel, David