A
Andrew J. Medford
Researcher at Georgia Institute of Technology
Publications - 92
Citations - 6814
Andrew J. Medford is an academic researcher from Georgia Institute of Technology. The author has contributed to research in topics: Catalysis & Electrospinning. The author has an hindex of 38, co-authored 79 publications receiving 5020 citations. Previous affiliations of Andrew J. Medford include Stanford University & SLAC National Accelerator Laboratory.
Papers
More filters
Journal ArticleDOI
From the Sabatier principle to a predictive theory of transition-metal heterogeneous catalysis
Andrew J. Medford,Aleksandra Vojvodic,Jens S. Hummelshøj,Johannes Voss,Frank Abild-Pedersen,Felix Studt,Thomas Bligaard,Anders Nilsson,Jens K. Nørskov +8 more
TL;DR: In this paper, scaling relations are correlated between surface bond energies of different adsorbed species including transition states, and the resulting activity map can be viewed as a quantitative implementation of the classical Sabatier principle, which states that there is an optimum "bond strength" defining the best catalyst for a given reaction.
Journal ArticleDOI
To address surface reaction network complexity using scaling relations machine learning and DFT calculations
TL;DR: A framework for optimization under uncertainty for heterogeneous catalysis reaction networks using surrogate models that are trained on the fly to predict the most important reaction step to be calculated explicitly with computationally demanding electronic structure theory.
Journal ArticleDOI
Photon-Driven Nitrogen Fixation: Current Progress, Thermodynamic Considerations, and Future Outlook
TL;DR: In this article, the authors review the history of the photocatalytic nitrogen fixation and examine current progress toward understanding and improving photofixation of nitrogen, supplemented by a quantitative review of the thermodynamic considerations and limitations for various reaction mechanism.
Journal ArticleDOI
Exploring the limits: A low-pressure, low-temperature Haber–Bosch process
Aleksandra Vojvodic,Andrew J. Medford,Felix Studt,Frank Abild-Pedersen,Tuhin Suvra Khan,Thomas Bligaard,Jens K. Nørskov,Jens K. Nørskov +7 more
TL;DR: In this article, the authors define the ideal scaling relation characterizing the most active catalyst possible, and show that it is theoretically possible to have a low pressure, low-temperature Haber-Bosch process.
Journal ArticleDOI
Assessing the reliability of calculated catalytic ammonia synthesis rates
Andrew J. Medford,Jess Wellendorff,Jess Wellendorff,Aleksandra Vojvodic,Felix Studt,Frank Abild-Pedersen,Karsten Wedel Jacobsen,Thomas Bligaard,Jens K. Nørskov,Jens K. Nørskov +9 more
TL;DR: A general method for estimating the uncertainty in calculated materials properties based on density functional theory calculations is introduced and an approach for incorporating uncertainty when searching for improved catalysts by evaluating the probability that a given catalyst is better than a known standard is introduced.