Jerzy Leszczynski, Professor of Chemistry and Presidential Distinguished Fellow, Department of Chemistry and Biochemistry, Jackson State University Manoj Shukla, Research Professor of Chemistry, Department of Chemistry and Biochemistry, Jackson State University

• Models—experiment—computation: a history of ideas in structural chemistry.- Many-Body Brillouin-Wigner Theories: Development and Prospects.- Multireference state-specific coupled cluster theory with a complete active space reference.- Relativistic effects in chemistry and a two-Component theory.- On the electronic, vibrational and relativistic contributions to the linear and nonlinear optical properties of molecules.- Using Chebyshev-Filtered Subspace Iteration and Windowing Methods to Solve the Kohn-Sham Problem.- Electronic structure of solids and surfaces with WIEN2k.- Model core potential method in the first decade of the XXI century.- Practical Aspects of Quantum Monte Carlo for the Electronic Structure of Molecules.- Relativistic Quantum Monte Carlo Method.- Computer Aided Nanomaterials Design – Selfassembly, Nanooptics, Molecular electronics/spintronics, and Fast DNA sequencing.- Computational Molecular Engineering for Nanodevices and Nanosystems.- Theoretical Studies of Thymine-Thymine Photodimerization: Using Ground State Dynamics to Model Photoreaction.

Jerzy Leszczynski, Professor of Chemistry and Presidential Distinguished Fellow, Department of Chemistry and Biochemistry, Jackson State University Manoj Shukla, Research Professor of Chemistry, Department of Chemistry and Biochemistry, Jackson State University

• Models—experiment—computation: a history of ideas in structural chemistry.- Many-Body Brillouin-Wigner Theories: Development and Prospects.- Multireference state-specific coupled cluster theory with a complete active space reference.- Relativistic effects in chemistry and a two-Component theory.- On the electronic, vibrational and relativistic contributions to the linear and nonlinear optical properties of molecules.- Using Chebyshev-Filtered Subspace Iteration and Windowing Methods to Solve the Kohn-Sham Problem.- Electronic structure of solids and surfaces with WIEN2k.- Model core potential method in the first decade of the XXI century.- Practical Aspects of Quantum Monte Carlo for the Electronic Structure of Molecules.- Relativistic Quantum Monte Carlo Method.- Computer Aided Nanomaterials Design – Selfassembly, Nanooptics, Molecular electronics/spintronics, and Fast DNA sequencing.- Computational Molecular Engineering for Nanodevices and Nanosystems.- Theoretical Studies of Thymine-Thymine Photodimerization: Using Ground State Dynamics to Model Photoreaction.

Jerzy Leszczynski, Professor of Chemistry and Presidential Distinguished Fellow, Department of Chemistry and Biochemistry, Jackson State University Manoj Shukla, Research Professor of Chemistry, Department of Chemistry and Biochemistry, Jackson State University

• Models—experiment—computation: a history of ideas in structural chemistry.- Many-Body Brillouin-Wigner Theories: Development and Prospects.- Multireference state-specific coupled cluster theory with a complete active space reference.- Relativistic effects in chemistry and a two-Component theory.- On the electronic, vibrational and relativistic contributions to the linear and nonlinear optical properties of molecules.- Using Chebyshev-Filtered Subspace Iteration and Windowing Methods to Solve the Kohn-Sham Problem.- Electronic structure of solids and surfaces with WIEN2k.- Model core potential method in the first decade of the XXI century.- Practical Aspects of Quantum Monte Carlo for the Electronic Structure of Molecules.- Relativistic Quantum Monte Carlo Method.- Computer Aided Nanomaterials Design – Selfassembly, Nanooptics, Molecular electronics/spintronics, and Fast DNA sequencing.- Computational Molecular Engineering for Nanodevices and Nanosystems.- Theoretical Studies of Thymine-Thymine Photodimerization: Using Ground State Dynamics to Model Photoreaction.