Fernando D Vila (Fernando Vila, F D Vila)

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 20

Top Topics

Density Functional Theory

Oxide Nanoparticles

Computed Tomography

Top Venues

Journal of chemical theory and computation

The journal of physical chemistry. C, Nanomaterials and interfaces

The journal of physical chemistry letters

Chemical science

This page only lists publications with an associated author ORCID identifier.

Publications

Yizhen Chen, Rachita Rana, Yizhi Zhang, Adam S Hoffman, Zhennan Huang, Bo Yang, Fernando D Vila, Jorge E Perez-Aguilar, Jiyun Hong, Xu Li, Jie Zeng, Miaofang Chi, Coleman X Kronawitter, Haiyan Wang, Simon R Bare, Ambarish R Kulkarni, Bruce C Gates
Dynamic structural evolution of MgO-supported palladium catalysts: from metal to metal oxide nanoparticles to surface then subsurface atomically dispersed cations. Chemical science 15 (17) (2024)
Leah R Filardi, Fernando D Vila, Jiyun Hong, Adam S Hoffman, Jorge E Perez-Aguilar, Simon R Bare, Ron C Runnebaum, Coleman X Kronawitter
Impact of Local Structure in Supported CaO Catalysts for Soft-Oxidant-Assisted Methane Coupling Assessed through Ca K-Edge X-ray Absorption Spectroscopy. The journal of physical chemistry. C, Nanomaterials and interfaces 128 (3) (2024)
Fernando D Vila, John J Rehr, Karol Kowalski, Bo Peng
RT-EOM-CCSD Calculations of Inner and Outer Valence Ionization Energies and Spectral Functions. Journal of chemical theory and computation (2024)
Yizhen Chen, Rachita Rana, Yizhi Zhang, Adam S Hoffman, Zhennan Huang, Bo Yang, Fernando D Vila, Jorge E Perez-Aguilar, Jiyun Hong, Xu Li, Jie Zeng, Miaofang Chi, Coleman X Kronawitter, Haiyan Wang, Simon R Bare, Ambarish R Kulkarni, Bruce C Gates
Dynamic structural evolution of MgO-supported palladium catalysts: from metal to metal oxide nanoparticles to surface then subsurface atomically dispersed cations. Chemical science 15 (17) (2024)
Fernando D Vila, John J Rehr, Karol Kowalski, Bo Peng
RT-EOM-CCSD Calculations of Inner and Outer Valence Ionization Energies and Spectral Functions. Journal of chemical theory and computation 20 (5) (2024)
Leah R Filardi, Fernando D Vila, Jiyun Hong, Adam S Hoffman, Jorge E Perez-Aguilar, Simon R Bare, Ron C Runnebaum, Coleman X Kronawitter
Impact of Local Structure in Supported CaO Catalysts for Soft-Oxidant-Assisted Methane Coupling Assessed through Ca K-Edge X-ray Absorption Spectroscopy. The journal of physical chemistry. C, Nanomaterials and interfaces 128 (3) (2024)
Lars Ostervold, Adam Smerigan, Matthew J Liu, Leah R Filardi, Fernando D Vila, Jorge E Perez-Aguilar, Jiyun Hong, William A Tarpeh, Adam S Hoffman, Lauren F Greenlee, Ezra Lee Clark, Michael J Janik, Simon R Bare
Cation Incorporation into Copper Oxide Lattice at Highly Oxidizing Potentials. ACS applied materials & interfaces (2023)
Himadri Pathak, Ajay Panyala, Bo Peng, Nicholas P Bauman, Erdal Mutlu, John J Rehr, Fernando D Vila, Karol Kowalski
Real-Time Equation-of-Motion Coupled-Cluster Cumulant Green's Function Method: Heterogeneous Parallel Implementation Based on the Tensor Algebra for Many-Body Methods Infrastructure. Journal of chemical theory and computation 19 (8) (2023)
Adam Smerigan, Sayani Biswas, Fernando D Vila, Jiyun Hong, Jorge Perez-Aguilar, Adam S Hoffman, Lauren F Greenlee, Rachel B Getman, Simon R Bare
Aqueous Structure of Lanthanide-EDTA Coordination Complexes Determined by a Combined DFT/EXAFS Approach. Inorganic chemistry (2023)
Himadri Pathak, Ajay Panyala, Bo Peng, Nicholas P Bauman, Erdal Mutlu, John J Rehr, Fernando D Vila, Karol Kowalski
Real-Time Equation-of-Motion Coupled-Cluster Cumulant Green's Function Method: Heterogeneous Parallel Implementation Based on the Tensor Algebra for Many-Body Methods Infrastructure. Journal of chemical theory and computation 19 (8) (2023)
Himadri Pathak, Ajay Panyala, Bo Peng, Nicholas P Bauman, Erdal Mutlu, John J Rehr, Fernando D Vila, Karol Kowalski
Real-Time Equation-of-Motion Coupled-Cluster Cumulant Green's Function Method: Heterogeneous Parallel Implementation Based on the Tensor Algebra for Many-Body Methods Infrastructure. Journal of chemical theory and computation 19 (8) (2023)
Daniel Mejía-Rodríguez, Edoardo Apra, Jochen Autschbach, Nicholas P Bauman, Eric J Bylaska, Niranjan Govind, Jeff R Hammond, Karol Kowalski, Alexander Kunitsa, Ajay Panyala, Bo Peng, John J Rehr, Huajing Song, Sergei Tretiak, Marat Valiev, Fernando D Vila
NWChem: Recent and Ongoing Developments. Journal of chemical theory and computation (2023)
Fernando D Vila, Karol Kowalski, Bo Peng, J J Kas, John J Rehr
Real-Time Equation-of-Motion CCSD Cumulant Green's Function. Journal of chemical theory and computation 18 (3) (2022)
Yizhen Chen, Rachita Rana, Zhennan Huang, Fernando D Vila, Tyler Sours, Jorge E Perez-Aguilar, Xiao Zhao, Jiyun Hong, Adam S Hoffman, Xu Li, Chunyan Shang, Thomas Blum, Jie Zeng, Miaofang Chi, Miquel B Salmeron, Coleman X Kronawitter, Simon R Bare, Ambarish R Kulkarni, Bruce C Gates
Atomically Dispersed Platinum in Surface and Subsurface Sites on MgO Have Contrasting Catalytic Properties for CO Oxidation. The journal of physical chemistry letters 13 (17) (2022)
Joshua J Kas, Fernando D Vila, Tun S Tan, John J Rehr
Ab initio calculation of X-ray and related core-level spectroscopies: Green's function approaches. Physical chemistry chemical physics : PCCP 24 (22) (2022)
Yizhen Chen, Rachita Rana, Tyler Sours, Fernando D Vila, Shaohong Cao, Thomas Blum, Jiyun Hong, Adam S Hoffman, Chia-Yu Fang, Zhennan Huang, Chunyan Shang, Chuanhao Wang, Jie Zeng, Miaofang Chi, Coleman X Kronawitter, Simon R Bare, Bruce C Gates, Ambarish R Kulkarni
A Theory-Guided X-ray Absorption Spectroscopy Approach for Identifying Active Sites in Atomically Dispersed Transition-Metal Catalysts. Journal of the American Chemical Society 143 (48) (2021)
Simerjeet K Gill, Jiahao Huang, Julia Mausz, Ruchi Gakhar, Santanu Roy, Fernando D Vila, Mehmet Topsakal, William C Phillips, Bobby Layne, Shannon Mark Mahurin, Phillip W Halstenberg, Sheng Dai, James F Wishart, Vyacheslav S Bryantsev, Anatoly I Frenkel
Connections between the Speciation and Solubility of Ni(II) and Co(II) in Molten ZnCl2. The journal of physical chemistry. B 124 (7) (2020)
Fernando D Vila, John J Rehr, J J Kas, Karol Kowalski, Bo Peng
Real-Time Coupled-Cluster Approach for the Cumulant Green's Function. Journal of chemical theory and computation 16 (11) (2020)
Arun S Asundi, Adam S Hoffman, Pallavi Bothra, Alexey Boubnov, Fernando D Vila, Nuoya Yang, Joseph A Singh, Li Zeng, James A Raiford, Frank Abild-Pedersen, Simon R Bare, Stacey F Bent
Understanding Structure-Property Relationships of MoO3-Promoted Rh Catalysts for Syngas Conversion to Alcohols. Journal of the American Chemical Society 141 (50) (2019)
Fernando D Vila, John J Rehr, Ralph G Nuzzo, Anatoly I Frenkel
Anomalous Structural Disorder in Supported Pt Nanoparticles. The journal of physical chemistry letters 8 (14) (2017)