Articles by Shaama Mallikarjun Sharada | Synthical

Synthical

Your space

Profile

Favorites

Folders

Feeds

Articles by Shaama Mallikarjun Sharada | Synthical

Claim page

Shaama Mallikarjun Sharada

Follow

Activity

Upvotes

Folders

Articles

15

Impact of surface vacancies on the dynamics of metal atoms on reducible oxides: An enhanced sampling study with machine-learned potentials for Pt1/TiO2

28 November 2025 by Usama Saleem and Shaama Mallikarjun Sharada at

University of Southern California

Theoretical and Computational Chemistry, Catalysis

Photophysical properties of functionalized terphenyls and implications to photoredox catalysis

7 July 2025 by George Baffour Pipim and others at

University of Southern California

Theoretical and Computational Chemistry, Physical Chemistry

Performance of density functionals for excited-state properties of isolated chromophores and exciplexes: Emission spectra, solvatochromic shifts, and charge-transfer character

4 January 2024 by Abhilash Patra and others at

University of Southern California

Theoretical and Computational Chemistry

The Hydrogen Evolution Activity of BaZrS3, BaTiS3, and BaVS3 Chalcogenide Perovskites

12 December 2023 by Nicholas Humphrey and others at

University of Southern California

Theoretical and Computational Chemistry, Catalysis

Matrix Approximation with Side Information: When Column Sampling is Enough

20 May 2023 by Jeongmin Chae and others

Signal Processing

Simulating Excited-State Complex Ensembles: Fluorescence and Solvatochromism in Amine-Arene Exciplexes

15 May 2023 by Abhilash Patra and others at

University of Southern California

Computational Chemistry and Modeling, Theoretical and Computational Chemistry

A computational mechanistic study of CH hydroxylation with mononuclear copper-oxygen complexes

27 June 2022 by Zhenzhuo Lan and others at

University of Southern California

Catalysis, Computational Chemistry and Modeling

Towards Efficient Direct Dynamics Studies of Chemical Reactions: A Novel Matrix Completion Algorithm

4 April 2022 by Stephen Jon Quiton and others at

University of Southern California

Computational Chemistry and Modeling, Theory

A matrix completion algorithm for efficient calculation of quantum and variational effects in chemical reactions

22 March 2022 by Selin Bac and others at

University of Southern California

Theoretical and Computational Chemistry

Analysis of Preferred Mechanisms of CO Oxidation with Atomically Dispersed Pt1/TiO2 Using the Energetic Span Model

21 December 2021 by Selin Bac and Shaama Mallikarjun Sharada at

University of Southern California

Catalysis, Heterogeneous Catalysis

Modeling and characterization of exciplexes in photoredox CO2 reduction: Insights from quantum chemistry and fluorescence spectroscopy

20 December 2021 by Kareesa Kron and others at

University of Southern California

Catalysis, Computational Chemistry and Modeling

Consistent Inclusion of Continuum Solvation in Energy Decomposition Analysis: Theory and Application to Molecular CO2 Reduction Catalysts

8 October 2020 by Yuezhi Mao and others at

Stanford University

Ab Initio Molecular Dynamics Reveals New Active Sites in Atomically Dispersed Pt1/TiO2 Catalysts

17 April 2020 by Nicholas Humphrey and others at

University of Southern California

Heterogeneous Catalysis

Computational Analysis of Electron Transfer Kinetics for CO2 Reduction with Organic Photoredox Catalysts

5 March 2020 by Kareesa Kron and others at

University of Southern California

Photocatalysis, Organocatalysis

Synthesis and Electrocatalytic HER Studies of Carbene-Ligated Cu3-xP Nanocrystals

2 January 2020 by Bryce Tappan and others at

University of Southern California

Nanocatalysis, Electrocatalysis

Linear Free Energy Relationships for Transition Metal Complex Chemistry: Opportunity or Pipe Dream?

29 November 2019 by Zhenzhuo Lan and Shaama Mallikarjun Sharada at

University of Southern California

Homogeneous Catalysis

Computational Strategies to Probe CH Activation in Dioxo-Dicopper Complexes

22 August 2018 by Zhenzhuo Lan and Shaama Mallikarjun Sharada at

University of Southern California

Computational Chemistry and Modeling, Homogeneous Catalysis

Topics

Theoretical and Computational Chemistry Computational Chemistry and Modeling Catalysis Heterogeneous Catalysis Homogeneous Catalysis Electrocatalysis Theory Redox Catalysis Nanocatalysis Energy Signal Processing Kinetics and Mechanism Inorganic Chemistry Photochemistry Organic Chemistry