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Peng Xu, Ph.D.

Affiliations: 
2014 Chemistry Iowa State University, Ames, IA, United States 
Area:
Quantum Theory
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"Peng Xu"
Mean distance: 9.41
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Mark S. Gordon grad student 2014 Iowa State
 (The odd power of dispersion.)

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Sattasathuchana T, Xu P, Bertoni C, et al. (2024) The Effective Fragment Molecular Orbital Method: Achieving High Scalability and Accuracy for Large Systems. Journal of Chemical Theory and Computation
Xu P, Leonard SL, O'Brien W, et al. (2023) R Dispersion Interaction: Derivation and Application to the Effective Fragment Potential Method. The Journal of Physical Chemistry. A
Zahariev F, Xu P, Westheimer BM, et al. (2023) The General Atomic and Molecular Electronic Structure System (GAMESS): Novel Methods on Novel Architectures. Journal of Chemical Theory and Computation. 19: 7031-7055
Pham BQ, Carrington L, Tiwari A, et al. (2023) Porting fragmentation methods to GPUs using an OpenMP API: Offloading the resolution-of-the-identity second-order Møller-Plesset perturbation method. The Journal of Chemical Physics. 158
Qu X, Xu P, Li R, et al. (2022) Density Functional Theory Plus Dynamical Mean Field Theory within the Framework of Linear Combination of Numerical Atomic Orbitals: Formulation and Benchmarks. Journal of Chemical Theory and Computation
Qu X, Xu P, Jiang H, et al. (2022) DFT+U within the framework of linear combination of numerical atomic orbitals. The Journal of Chemical Physics. 156: 234104
Xu P, Sattasathuchana T, Guidez E, et al. (2021) Computation of host-guest binding free energies with a new quantum mechanics based mining minima algorithm. The Journal of Chemical Physics. 154: 104122
Xu P, Alkan M, Gordon MS. (2020) Many-Body Dispersion. Chemical Reviews
Barca GMJ, Bertoni C, Carrington L, et al. (2020) Recent developments in the general atomic and molecular electronic structure system. The Journal of Chemical Physics. 152: 154102
Alkan M, Xu P, Gordon MS. (2019) Many-Body Dispersion in Molecular Clusters. The Journal of Physical Chemistry. A
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