Dorel Moldovan


Fruehan Family Professor of Mechanical Engineering

3290N Patrick F. Taylor Hall

Department of Mechanical & Industrial Engineering

Louisiana State University

Baton Rouge, LA 70803


Google Scholar Profile - Moldovan (click me)

Educational Background

  • Ph.D., Physics, West Virginia University, 1999
  • B.S., Engineering Physics, University of Bucharest, 1989

Research Interests

  • Atomistic and mesoscale modeling and simulation of materials (interfacial materials, thin films, membranes, and biomolecules confined in nanoscale systems)

Selected Publications

Size-dependent tensile failure of epitaxial TiN/Cu/TiN sandwich pillar structures: A combined experimentation – Atomistic simulation study, Xioman Zhang, Reza Namakian, Andrew C. Meng, Dorel Moldovan, and Wen Jin Meng, Materials Science and Engineering A 855, 143889 (2022); DOI:

Complexation of Lignin Dimers with β-Cyclodextrin and Binding Stability Analysis by ESI-MS, Isothermal Titration Calorimetry and Molecular Dynamics Simulations. Kimberly R. Dean, Brian Novak, Mahsa Moradipour, Xinjie Tong, Dorel Moldovan, Barbara L. Knutson, Stephen E. Rankin, and Bert C. Lynn, Journal of Physical Chemistry B 126, 1655-1667, (2022); DOI:

A combined molecular dynamics/Monte Carlo simulation of Cu thin film growth on TiN substrates: Illustration of growth mechanisms and comparison with experiments. Reza Namakian, Brian R. Novak, Xiaoman Zhang, Wen Jin Meng, and Dorel Moldovan, Applied Surface Science 570, 151013 (2021); DOI: 

Interaction of Lignin Dimers with Model Cell Membranes: A QCM-D and Molecular Dynamics Simulation Study Mahsa Moradipour, Xinjie Tong, Brian Novak, Poorya Kamali, Shadrack O. Asare, Bert C. Lynn, Dorel Moldovan, Stephen E. Rankin, and Barbara L. Knutson. Biointerphases 16(4), 041003 (2021); DOI: 

Molecular Dynamics Simulation Study of the Positioning and Dynamics of a-Tocopherol in Phospholipid Bilayers. Sepideh Kavousi, Brian R. Novak, Xinjie Tong, and Dorel Moldovan, European Biophysical Journal 50, 889-903 (2021); DOI:

Quantitative prediction of rapid solidification by integrated atomistic and phase-field modeling. Sepideh Kavousi, Brian R. Novak, Dorel Moldovan, and Mohsen Asle Zaeem, Acta Materialia 211, 116885 (2021); DOI:

Single Nucleotides Moving through Nanoslits Composed of Self-Assembled Monolayers via Equilibrium and Nonequilibrium Molecular Dynamics. Xinjie Tong, Brian R. Novak, Sepideh Kavousi, and Dorel Moldovan, Journal of Physical Chemistry B 125, 1259-1270 (2021); DOI:

Interface kinetics of rapid solidification of binary alloys by atomistic simulations: Application to Ti-Ni alloys. Sepideh Kavousi, Brian R. Novak, Jeffrey Hoyt, and Dorel Moldovan, Computational Materials Science, 184, 109854 (2020); DOI:

MEAM potential for high temperature crystal-melt properties of Ti-Ni alloys and its application to phase field simulation of solidification. Sepideh Kavousi, Brian Novak, Michael Baskes, Mohsen Asle Zaeem, Dorel Moldovan, Modeling and Simulation in Materials Science and Engineering 28, 015006 (2020); DOI:

Combined molecular dynamics and phase field simulation investigations of crystal-melt interfacial properties and dendritic solidification of highly undercooled titanium. Sepideh Kavousi, Brian R. Novak, Mohsen Asle Zaeem, and Dorel Moldovan, Computational Materials Science 163, 218-229 (2019); DOI: