path integral molecular dynamics simulation (Molecular Dynamics Inc)
86
Structured Review
Molecular Dynamics Inc
path integral molecular dynamics simulation
Path Integral Molecular Dynamics Simulation, supplied by Molecular Dynamics Inc, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/path-integral+molecular+dynamics+simulations/dynamics+molecular+simulations/pm41770588-635-14-16
Average 86 stars, based on 1 article reviews
Path Integral Molecular Dynamics Simulation, supplied by Molecular Dynamics Inc, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/path-integral+molecular+dynamics+simulations/dynamics+molecular+simulations/pm41770588-635-14-16
Average 86 stars, based on 1 article reviews
path integral molecular dynamics simulation - by Bioz Stars,
2026-10
86/100 stars
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Spectroscopy:Article Title: Relationship between x-ray emission and absorption spectroscopy and the local H-bond environment in water. Article Snippet: .. 138, 214504 (2013)] The Journal of Chemical Physics 148, 137101 (2018); 10.1063/1.5029463 Communication: Relationship between local structure and the stability of water in hydrophobic confinement The Journal of Chemical Physics 147, 241102 (2017); 10.1063/1.5013253 Equilibration and analysis of first-principles molecular dynamics simulations of water The Journal of Chemical Physics 148, 124501 (2018); 10.1063/1.5018116 Microscopic structural descriptor of liquid water The Journal of Chemical Physics 148, 124503 (2018); 10.1063/1.5024565 Ice nucleation rates near 225 K The Journal of Chemical Physics 148, 084501 (2018); 10.1063/1.5019362 Temperature-dependent vibrational spectra and structure of liquid water from classical and quantum simulations with the MB-pol potential energy function The Journal of Chemical Physics 147, 244504 (2017); 10.1063/1.5006480 THE JOURNAL OF CHEMICAL PHYSICS 148, 144507 (2018) Relationship between x-ray emission and absorption spectroscopy and the local H-bond environment in water Iurii Zhovtobriukh,1 Nicholas A. Besley,2 Thomas Fransson,3,a) Anders Nilsson,1 and Lars G. M. Pettersson1,b) 1FYSIKUM, Stockholm University, Albanova University Center, SE-106 91 Stockholm, Sweden 2School of Chemistry, The University of Nottingham, University Park, Nottingham NG72RD, United Kingdom 3Stanford PULSE Institute, SLAC National Accelerator Laboratory, Menlo Park, California 94025, USA (Received 16 October 2017; accepted 12 March 2018; published online 10 April 2018) The connection between specific features in the water X-ray absorption spectrum and X-ray emission spectrum (XES) and the local H-bond coordination is studied based on structures obtained from path-integral Functional Assay:Article Title: Relationship between x-ray emission and absorption spectroscopy and the local H-bond environment in water. Article Snippet: .. 138, 214504 (2013)] The Journal of Chemical Physics 148, 137101 (2018); 10.1063/1.5029463 Communication: Relationship between local structure and the stability of water in hydrophobic confinement The Journal of Chemical Physics 147, 241102 (2017); 10.1063/1.5013253 Equilibration and analysis of first-principles molecular dynamics simulations of water The Journal of Chemical Physics 148, 124501 (2018); 10.1063/1.5018116 Microscopic structural descriptor of liquid water The Journal of Chemical Physics 148, 124503 (2018); 10.1063/1.5024565 Ice nucleation rates near 225 K The Journal of Chemical Physics 148, 084501 (2018); 10.1063/1.5019362 Temperature-dependent vibrational spectra and structure of liquid water from classical and quantum simulations with the MB-pol potential energy function The Journal of Chemical Physics 147, 244504 (2017); 10.1063/1.5006480 THE JOURNAL OF CHEMICAL PHYSICS 148, 144507 (2018) Relationship between x-ray emission and absorption spectroscopy and the local H-bond environment in water Iurii Zhovtobriukh,1 Nicholas A. Besley,2 Thomas Fransson,3,a) Anders Nilsson,1 and Lars G. M. Pettersson1,b) 1FYSIKUM, Stockholm University, Albanova University Center, SE-106 91 Stockholm, Sweden 2School of Chemistry, The University of Nottingham, University Park, Nottingham NG72RD, United Kingdom 3Stanford PULSE Institute, SLAC National Accelerator Laboratory, Menlo Park, California 94025, USA (Received 16 October 2017; accepted 12 March 2018; published online 10 April 2018) The connection between specific features in the water X-ray absorption spectrum and X-ray emission spectrum (XES) and the local H-bond coordination is studied based on structures obtained from path-integral other:Article Title: Quantum effects in graphene monolayers: Path-integral simulations. Article Snippet: To take into account the quantum character of the nuclei, Article Title: Highly efficient path-integral molecular dynamics simulations with GPUMD using neuroevolution potentials: Case studies on thermal properties of materials. Article Snippet: Highly efficient path-integral molecular dynamics simulations with GPUMD using neuroevolution potentials: Case studies on thermal properties of |