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Atomistic non-adiabatic dynamics of the LH2 complex with a GPU-accelerated ab initio exciton model.Reaction and relaxation at surface hotspots: using molecular dynamics and the energy-grained master equation to describe diamond etching.Characterising the evaporation kinetics of water and semi-volatile organic compounds from viscous multicomponent organic aerosol particles.Non-equilibrium reaction and relaxation dynamics in a strongly interacting explicit solvent: F + CD3CN treated with a parallel multi-state EVB model.Multiscale analysis of enantioselectivity in enzyme-catalysed 'lethal synthesis' using projector-based embedding.Sampling molecular conformations and dynamics in a multiuser virtual reality framework.Investigation of Atmospheric Chemical Mechanisms Using Experiments and TheoryLow dimensional representations along intrinsic reaction coordinates and molecular dynamics trajectories using interatomic distance matricesInteractive molecular dynamics in virtual reality for accurate flexible protein-ligand dockingIMPRESSION - prediction of NMR parameters for 3-dimensional chemical structures using machine learning with near quantum chemical accuracySpin-Forbidden Channels in Reactions of Unsaturated Hydrocarbons with O(3P)Anharmonic Molecular Mechanics: Ab Initio Based Morse Parametrizations for the Popular MM3 Force FieldTraining Neural Nets To Learn Reactive Potential Energy Surfaces Using Interactive Quantum Chemistry in Virtual RealityInteractive molecular dynamics in virtual reality from quantum chemistry to drug binding: An open-source multi-person framework
P50
Q38826927-7040089A-3EFA-4D64-A93A-00023B7D6841Q42003166-86BB66F0-637B-4190-90E1-77533668AC5BQ46256432-B031A9A6-E635-4BB0-B19B-5EEF875B0C53Q50211573-21078C3E-CFD5-41C0-A105-66B1CE0DE753Q53080145-C61FDB0C-35F3-42DC-AAC2-E92F18124D8FQ55401272-AAEE2737-456B-483F-B891-BE528D24E2FFQ58459103-09A857AE-EBF7-405E-B577-DFF5099D72BAQ89703352-50BF9B35-2F26-4EC5-98F2-4603BE0011C6Q90236226-089ADB97-C20D-4482-9A70-275C85C7A335Q90448304-41145358-AFFE-4E0E-B4D2-2F6C6DE4E311Q90666419-408C9F44-3A13-42AB-BEF2-07A7393ADB04Q91826647-7125BB11-23C3-4856-8304-80DB96F2A08EQ92496550-71BC5EC2-067A-4D14-A04F-04D5703CC8D6Q92767548-86C6B09A-9E27-487E-B5BB-9D127831B7FD
P50
description
hulumtues
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researcher
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հետազոտող
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name
David R Glowacki
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David R Glowacki
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David R Glowacki
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David Ryan Glowacki
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David Ryan Glowacki
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David Ryan Glowacki
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David Ryan Glowacki
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David Ryan Glowacki
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David Ryan Glowacki
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David Ryan Glowacki
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type
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David R Glowacki
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David R Glowacki
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David R Glowacki
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David Ryan Glowacki
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David Ryan Glowacki
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David Ryan Glowacki
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David Ryan Glowacki
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David Ryan Glowacki
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David Ryan Glowacki
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David Ryan Glowacki
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David Ryan Glowacki
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David Ryan Glowacki
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David R Glowacki
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David R Glowacki
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David R Glowacki
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David Ryan Glowacki
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David Ryan Glowacki
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David Ryan Glowacki
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David Ryan Glowacki
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David Ryan Glowacki
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David Ryan Glowacki
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David Ryan Glowacki
@it
P106
P21
P213
0000 0001 3501 1162
P31
P496
0000-0002-9608-3845