Mathew D. Halls
Schrodinger (United States)(US)Schrodinger (United States)(US)
Publications by Year
Research Areas
Machine Learning in Materials Science, Semiconductor materials and devices, Organic Light-Emitting Diodes Research, Molecular Junctions and Nanostructures, Organic Electronics and Photovoltaics
Most-Cited Works
- → Jaguar: A high‐performance quantum chemistry software program with strengths in life and materials sciences(2013)1,766 cited
- → Noncovalent Engineering of Carbon Nanotube Surfaces by Rigid, Functional Conjugated Polymers(2002)770 cited
- → Harmonic frequency scaling factors for Hartree-Fock, S-VWN, B-LYP, B3-LYP, B3-PW91 and MP2 with the Sadlej pVTZ electric property basis set(2001)448 cited
- → Water Alignment and Proton Conduction inside Carbon Nanotubes(2003)259 cited
- → Molecular Orbital Study of the First Excited State of the OLED Material Tris(8-hydroxyquinoline)aluminum(III)(2001)228 cited
- → Automated Transition State Search and Its Application to Diverse Types of Organic Reactions(2017)172 cited
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