Thomas Spura

发表

Inverting the Operator / Vehicle Ratio : Approaches to Next Generation UAV Command and Control

Vera Zaychik, Thomas M. Spura, Erin E. Alves, 2005 .

Nuclear quantum effects in liquid water from path-integral simulations using an ab initio force-matching approach

Thomas Spura, Thomas D. Kühne, Scott Habershon, 2015 .

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

Thomas Spura, Scott Habershon, T. Kühne, 2015, Physical review. E.

Nuclear quantum effects in liquid water from path-integral simulations using an ab initio force-matching approach

T. Kühne, S. Habershon, Thomas Spura, 2014, 1402.1233.

SciPy 1.0-Fundamental Algorithms for Scientific Computing in Python

Joel Nothman, Robert T. McGibbon, K. Jarrod Millman, 2019, ArXiv.

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

Thomas Spura, Jan Kessler, Pouya Partovi-Azar, 2015, The journal of physical chemistry. B.

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

Andreas Köster, Jadran Vrabec, Thomas Spura, 2016, J. Comput. Chem..

Author Correction: SciPy 1.0: fundamental algorithms for scientific computing in Python

Joel Nothman, Robert T. McGibbon, K. Jarrod Millman, 2020, Nature Methods.

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

Thomas Spura, Hossam Elgabarty, T. Kühne, 2015, Physical chemistry chemical physics : PCCP.

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

Steven Vandenbrande, Wei Fang, Michele Ceriotti, 2018, Comput. Phys. Commun..

Author Correction: SciPy 1.0: fundamental algorithms for scientific computing in Python

Johannes L. Schönberger, James T. Webber, Alessandro Pietro Bardelli, 2020, Nature Methods.

SciPy 1.0: fundamental algorithms for scientific computing in Python

Johannes L. Schönberger, James T. Webber, Alessandro Pietro Bardelli, 2019, Nature Methods.