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Thomas Spura | Researchclopedia

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Thomas Spura

10

Works

12,061

Citations

7

h-index

6

i10-index

Research Topics

Spectroscopy and Quantum Chemical Studies Quantum, superfluid, helium dynamics Advanced Chemical Physics Studies

Affiliations

Paderborn University2015–2018

Institute for Condensed Matter Physics of the National Academy of Sciences of Ukraine2015–2015

Top Works

i-PI 2.0: A universal force engine for advanced molecular simulations

Venkat Kapil,Mariana Rossi,et al.

2018373 citations

Advanced NMR Techniques and Applications

Protein Structure and Dynamics

Structure and Dynamics of the Instantaneous Water/Vapor Interface Revisited by Path-Integral and Ab Initio Molecular Dynamics Simulations

Jan Henning Keßler,Hossam Elgabarty,et al.

201577 citations

Quantum ring-polymer contraction method: Including nuclear quantum effects at no additional computational cost in comparison to<i>ab initio</i>molecular dynamics

C. Jesintha John,Thomas Spura,et al.

201644 citations

“On-the-fly” coupled cluster path-integral molecular dynamics: impact of nuclear quantum effects on the protonated water dimer

Thomas Spura,Hossam Elgabarty,et al.

201538 citations

Assessing the accuracy of improved force‐matched water models derived from <i>Ab initio</i> molecular dynamics simulations

Andreas M. Köster,Thomas Spura,et al.

201615 citations

Correction: “On-the-fly” coupled cluster path-integral molecular dynamics: impact of nuclear quantum effects on the protonated water dimer

Thomas Spura,Hossam Elgabarty,et al.

20157 citations

Tetraedrisch, wenn flüssig

Manuel Dömer,Thomas Spura,et al.

20132 citations

Nuclear quantum effects in liquid water from an ab initio force matching approach

Thomas Spura,C. Jesintha John,et al.

20140 citations

Structure and Dynamics of the Instantaneous Water/Vapor Interface Revisited by Path-Integral and Ab Initio Molecular Dynamics Simulations B

Jan Henning Keßler,Hossam Elgabarty,et al.

20150 citations