Hari Thirumalai

Materials Chemistry · 2018

A researcher in the Science corpus: 1 paper; trusts 5 researchers and is trusted by 0 researchers here, as inferred from the citation graph.

Subfields

• Materials Chemistry — 11 citations into it
• Atomic and Molecular Physics, and Optics — 6 citations into it

Whom Hari Thirumalai trusts overall

Their strongest outbound trust, strongest first, inferred from their citations.

1. J. Perdew
2. Jeff Greeley
3. Kieron Burke
4. A. Bell
5. M. Mavrikakis
6. M. Ernzerhof
7. John R. Kitchin

Papers from Hari Thirumalai's perspective

Ordered by how strongly the researchers Hari Thirumalai trusts endorse each paper. Same corpus, a different order for every researcher.

1. Identification of Non-Precious Metal Alloy Catalysts for Selective Hydrogenation of Acetylene (Science)
2. Alloy catalysts designed from first principles (Nature Materials)
3. Single-Atom Alloy Pd–Ag Catalyst for Selective Hydrogenation of Acrolein
4. The atomic simulation environment-a Python library for working with atoms. (Journal of Physics: Condensed Matter)
5. Role of strain and ligand effects in the modification of the electronic and chemical properties of bimetallic surfaces. (Physical Review Letters)
6. Efficient methods for finding transition states in chemical reactions: comparison of improved dimer method and partitioned rational function optimization method. (Journal of Chemical Physics)
7. Generalized Gradient Approximation Made Simple.
8. Accurate molecular van der Waals interactions from ground-state electron density and free-atom reference data.
9. High performance computational chemistry: An overview of NWChem a distributed parallel application
10. Minima hopping: an efficient search method for the global minimum of the potential energy surface of complex molecular systems. (Journal of Chemical Physics)

Their papers

• Investigating the Reactivity of Single Atom Alloys Using Density Functional Theory (2018) — 140 citations