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Surface-Specific DFT + U Approach Applied to α‑Fe2O3(0001)

Journal of physical chemistry. C, 2016-03, Vol.120 (9), p.4919-4930

2016

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DFT Study of Antimony(V) Oxyanion Adsorption on α‑Al2O3(11̅02)

Journal of physical chemistry. C, 2015-07

2015

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Using Density Matrix Quantum Monte Carlo for Calculating Exact-on-Average Energies for ab Initio Hamiltonians in a Finite Basis Set

Journal of chemical theory and computation, 2020-02, Vol.16 (2), p.1029-1038

2020

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DFT Study of Antimony(V) Oxyanion Adsorption on α-Al 2 O 3 (11̅02)

Journal of physical chemistry. C, 2015-08, Vol.119 (32), p.18149-18159

2015

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The Sign Problem in Density Matrix Quantum Monte Carlo

Journal of chemical theory and computation, 2021-10, Vol.17 (10), p.6036-6052

2021

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Polygenic Risk Score-Based Association Analysis of Speech-in-Noise and Hearing Threshold Measures in Healthy Young Adults with Self-reported Normal Hearing

Journal of the Association for Research in Otolaryngology, 2023-10, Vol.24 (5), p.513-525

2023

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Fully Quantum Embedding with Density Functional Theory for Full Configuration Interaction Quantum Monte Carlo

Journal of chemical theory and computation, 2019-10, Vol.15 (10), p.5332-5342

2019

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Surface-Specific DFT + U Approach Applied to α-Fe 2 O 3 (0001)

Journal of physical chemistry. C, 2016-03, Vol.120 (9), p.4919-4930

2016

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Utilization of bench-stable and readily available nickel(II) triflate for access to 1,2-cis-2-aminoglycosides

Carbohydrate research, 2016-11, Vol.435, p.195-207

2016

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The Role of Glu41 in the Binding of Dimannose to P51G-m4-CVN

Biochemistry (Easton), 2014-03, Vol.53 (9), p.1477-1484

2014

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When Sugars Get Wet. A Comprehensive Study of the Behavior of Water on the Surface of Oligosaccharides

The journal of physical chemistry. B, 2009-08, Vol.113 (31), p.11003-11015

2009

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In Silico Prediction of the 3D Structure of Trimeric Asialoglycoprotein Receptor Bound to Triantennary Oligosaccharide

Journal of the American Chemical Society, 2010-07, Vol.132 (26), p.9087-9095

2010

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Study of Early Events in the Protein Folding of Villin Headpiece using Molecular Dynamics Simulation

Journal of biomolecular structure & dynamics, 2008-10, Vol.26 (2), p.203-214

2008

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Carbohydrate-protein interactions: Structure, dynamics and free energy calculations

Ramadugu, Sai Kumar

2013

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Surface-Specific DFT + U Approach Applied to α‑Fe2O3(0001)

DFT Study of Antimony(V) Oxyanion Adsorption on α‑Al2O3(11̅02)

Using Density Matrix Quantum Monte Carlo for Calculating Exact-on-Average Energies for ab Initio Hamiltonians in a Finite Basis Set

DFT Study of Antimony(V) Oxyanion Adsorption on α-Al 2 O 3 (11̅02)

The Sign Problem in Density Matrix Quantum Monte Carlo

Polygenic Risk Score-Based Association Analysis of Speech-in-Noise and Hearing Threshold Measures in Healthy Young Adults with Self-reported Normal Hearing

Fully Quantum Embedding with Density Functional Theory for Full Configuration Interaction Quantum Monte Carlo

Surface-Specific DFT + U Approach Applied to α-Fe 2 O 3 (0001)

Utilization of bench-stable and readily available nickel(II) triflate for access to 1,2-cis-2-aminoglycosides

The Role of Glu41 in the Binding of Dimannose to P51G-m4-CVN

When Sugars Get Wet. A Comprehensive Study of the Behavior of Water on the Surface of Oligosaccharides

In Silico Prediction of the 3D Structure of Trimeric Asialoglycoprotein Receptor Bound to Triantennary Oligosaccharide

Study of Early Events in the Protein Folding of Villin Headpiece using Molecular Dynamics Simulation

Carbohydrate-protein interactions: Structure, dynamics and free energy calculations

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