• M. Foulkes, L. Mitas, R. Needs and G. Rajagopal, Quantum Monte Carlo for Solids, Rev. Mod. Phys., 73, 33-83 (2001)
• L. Mitas, Electronic Structure by Quantum Monte Carlo: atoms, molecules and solids, Comp. Phys. Commun. 96, 107 (1996)
• D.Ceperley and L. Mitas, Monte Carlo Methods in Quantum Chemistry, Adv. Chem. Phys., Vol. XCIII, Ed. by I. Prigogine and S.A. Rice, Wiley, 1996, p.1-38/preprint

Quantum Monte Carlo methods, Analysis and Discovery of New Materials
Clusters/Molecules/Solids (selected articles)

• L. Mitas, Structure of fermion nodes, Phys. Rev. Lett. 96 240402 (2006)
• M. Bajdich, L.K. Wagner, G. Drobny, L. Mitas, K. E. Schmidt, Pfaffian wave functions for electronic structure quantum Monte Carlo, Phys. Rev. Lett. 96 130201 (2006)
• M. Bajdich, L. Mitas, G. Drobny, and L. K. Wagner, Approximate and exact nodes of fermionic wavefunctions: coordinate transformations and topologies, Phys. Rev. B 72 , 075131 (2005) (cond-mat/0409406)
• J.C. Grossman, L. Mitas, Efficient Quantum Monte Carlo Energies for Ab Initio Molecular Dynamics Simulations, Phys. Rev. Lett. 94, 056403 (2005)
• P. Sen and L. Mitas, Electronic structure and ground states of TM@Si12 clusters, Phys. Rev. B 68, 155404 (2003)
• L.K. Wagner and L. Mitas, A quantum Monte Carlo study of electron correlation in transition metal oxygen molecules, Chem. Phys. Lett. 370, 412 (2003)
• J. Therrien, G. Belomoin, O. Akcakir, N. Barry, M. Nayfeh, L. Wagner and L. Mitas, Observation of a magic discrete family of ultrabright Si nanoparticles, Appl. Phys. Lett. 80, 841 (2002)
• J. Therrien, G. Belomoin, O. Akcakir, N. Barry, L. Mitas and M. Nayfeh, The absorption and the Dielectric Constant of Dispersed Ultrasmall Silicon Nanoparticles, Appl. Phys. Lett. 78, 1918 (2001)
• J.C. Grossman, M. Rohlfing, L. Mitas, S.G. Louie, and M.L. Cohen, High accuracy many-body calculational approaches for excitations in molecules, Phys. Rev. Lett., 86, 472 (2001)
• T. Torelli, L. Mitas, Electron Correlation in C_(4N+2) Carbon Rings: Aromatic versus Dimerized Structures, Phys. Rev. Lett. 85, 1702 (2000)
• L. Mitas, J.C. Grossman, I. Stich, J. Tobik, Silicon clusters of intermediate size: energetics, dynamics and thermal effects, Phys. Rev. Lett., 84, 1479 (2000)
• J.C. Grossman and L. Mitas, High accuracy molecular heats of formation and reaction barriers: Essential role of electron correlation, Phys. Rev. Lett. 79, 4353 (1997)
• J.C. Grossman, L. Mitas, and K. Raghavachari, Structure and Stability of Molecular Carbon: Importance of Electron Correlation, Phys. Rev. Lett. 75, 3870 (1995)
• J.C. Grossman, L. Mitas, Quantum Monte Carlo Determination of Electronic and Structural Properties of Si_n Clusters (n<= 20), Phys. Rev. Lett. 74, 1323 (1995)
• L. Mitas and R.M. Martin, Quantum Monte Carlo of nitrogen: atom, dimer, atomic and molecular solids, Phys. Rev. Lett. 72, 2438 (1994)

Computational and Simulation Methods in Geosciences and Environmental Modeling

• L. Mitas, H. Mitasova, Spatial Interpolation, in Geographical Information Systems: Principles, Techniques, Management and Applications, Wiley, Eds. P. Longley et al, Wiley, 1999, pp.481-492
• L. Mitas, and H. Mitasova, Distributed soil erosion simulation for effective erosion prevention. Water Resources Research 34, 505 (1998)