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Adam L Baskerville

Showing results (1-10 of 6) with videos related to

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Royal Society Open Science|March 20, 2023
Correlated energy from radial density-energy relationsAdam L Baskerville, Conor Gray, Hazel Cox
Royal Society Open Science|January 10, 2022
Reparametrization of the Colle-Salvetti formulaAdam L Baskerville, Msugh Targema, Hazel Cox
Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences|February 13, 2018
Hartree-Fock implementation using a Laguerre-based wave function for the ground state and correlation energies of two-electron atomsAndrew W King, Adam L Baskerville, Hazel Cox
Royal Society Open Science|February 26, 2019
Electron correlation in Li<sup>+</sup>, He, H<sup>-</sup> and the critical nuclear charge system <i>Z</i> <sub></sub> : energies, densities and Coulomb holesAdam L Baskerville, Andrew W King, Hazel Cox
Journal of Chemical Information and Modeling|August 27, 2025
Basic Stability Tests of Machine Learning Potentials for Molecular Simulations in Computational Drug DiscoveryKavindri Ranasinghe, Adam L Baskerville, Geoffrey P F Wood, et al.
Journal of Chemical Theory and Computation|January 3, 2025
Evaluation of Machine Learning/Molecular Mechanics End-State Corrections with Mechanical Embedding to Calculate Relative Protein-Ligand Binding Free EnergiesJohannes Karwounopoulos, Mateusz Bieniek, Zhiyi Wu, et al.
Pageof 1

Showing results (1-10 of 6) with videos related to

Sort By:
Pageof 1
Royal Society Open Science|March 20, 2023
Correlated energy from radial density-energy relationsAdam L Baskerville, Conor Gray, Hazel Cox
Royal Society Open Science|January 10, 2022
Reparametrization of the Colle-Salvetti formulaAdam L Baskerville, Msugh Targema, Hazel Cox
Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences|February 13, 2018
Hartree-Fock implementation using a Laguerre-based wave function for the ground state and correlation energies of two-electron atomsAndrew W King, Adam L Baskerville, Hazel Cox
Royal Society Open Science|February 26, 2019
Electron correlation in Li<sup>+</sup>, He, H<sup>-</sup> and the critical nuclear charge system <i>Z</i> <sub></sub> : energies, densities and Coulomb holesAdam L Baskerville, Andrew W King, Hazel Cox
Journal of Chemical Information and Modeling|August 27, 2025
Basic Stability Tests of Machine Learning Potentials for Molecular Simulations in Computational Drug DiscoveryKavindri Ranasinghe, Adam L Baskerville, Geoffrey P F Wood, et al.
Journal of Chemical Theory and Computation|January 3, 2025
Evaluation of Machine Learning/Molecular Mechanics End-State Corrections with Mechanical Embedding to Calculate Relative Protein-Ligand Binding Free EnergiesJohannes Karwounopoulos, Mateusz Bieniek, Zhiyi Wu, et al.
Pageof 1