Luke Nambi Mohanam, PhD
Postdoctoral Associate (previously held)
Boston University College of Engineering
Electrical and Computer Engineering



Publications listed below are automatically derived from MEDLINE/PubMed and other sources, which might result in incorrect or missing publications. Faculty can login to make corrections and additions.

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  1. Mastracco P, Mohanam LN, Nagaro G, Prusty S, Oh Y, Wu R, Cui Q, Hochbaum AI, Copp SM, Sharifzadeh S. Dynamic Electronic Structure Fluctuations in the De Novo Peptide ACC-Dimer Revealed by First-Principles Theory and Machine Learning. J Chem Inf Model. 2025 Mar 10; 65(5):2503-2512. PMID: 39950947
     
  2. Majumdar S, Grotjahn R, Rajabi A, Feng B, Mohanam LN, Phun GS, Lutfi N, Khan M, Rappoport D, Furche F. Mechanism of the Non-Kasha Fluorescence in Pyrene. J Comput Chem. 2025 Jan 30; 46(3):e70040. PMID: 39874365
     
  3. Freixas VM, Malone W, Li X, Song H, Negrin-Yuvero H, Pérez-Castillo R, White A, Gibson TR, Makhov DV, Shalashilin DV, Zhang Y, Fedik N, Kulichenko M, Messerly R, Mohanam LN, Sharifzadeh S, Bastida A, Mukamel S, Fernandez-Alberti S, Tretiak S. NEXMD v2.0 Software Package for Nonadiabatic Excited State Molecular Dynamics Simulations. J Chem Theory Comput. 2023 Aug 22; 19(16):5356-5368. PMID: 37506288
     
  4. Rappoport D, Bekoe S, Mohanam LN, Le S, George N, Shen Z, Furche F. Libkrylov: A modular open-source software library for extremely large on-the-fly matrix computations. J Comput Chem. 2023 Apr 30; 44(11):1105-1118. PMID: 36636945
     
  5. Lewis DK, Oh Y, Mohanam LN, Wierzbicki M, Ing NL, Gu L, Hochbaum A, Wu R, Cui Q, Sharifzadeh S. Electronic Structure of de Novo Peptide ACC-Hex from First Principles. J Phys Chem B. 2022 Jun 07. PMID: 35671500
     
  6. Mohanam LN, Holton AJ. Gamifying intermolecular forces: Improving student performance outcomes for college freshman-level intermolecular forces. Journal of Chemical Education. 2020; 97(11):4044–4048.
  7. Jenkins TF, Woen DH, Mohanam LN, Ziller JW, Furche F, Evans WJ. Tetramethylcyclopentadienyl Ligands Allow Isolation of Ln(II) Ions across the Lanthanide Series in [K(2.2.2-cryptand)][(C5Me4H)3Ln] Complexes. Organometallics. 2018; 37(21):3863–3873.
  8. Vincent JC, Muuronen M, Pearce KC, Mohanam LN, Tapavicza E, Furche F. That Little Extra Kick: Nonadiabatic Effects in Acetaldehyde Photodissociation. J Phys Chem Lett. 2016 Oct 20; 7(20):4185-4190. PMID: 27704839
     
  9. Mohanam LN, Ong SW, Tok ES, Kang HC. Effect of orbital and ionic dynamics coupling in barrier crossing rates for Car–Parrinello molecular dynamics. Chemical Physics Letters. 2015; 621:146-154.

This graph shows the total number of publications by year, by first, middle/unknown, or last author.

Bar chart showing 9 publications over 7 distinct years, with a maximum of 2 publications in 2023 and 2025

YearPublications
20151
20161
20181
20201
20221
20232
20252

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