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Disambiguation of "Roitberg, Adrian E."

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Molecular Wire Interconnects: Chemical Structural Control, Resonant Tunneling and Length Dependence.

, , , and . VLSI Design, 8 (1-4): 65-74 (1998)

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Adrian E Raftery

Adrian E Andermatt

Adrian E Raftery

Adrian E Wettstein

Ursula E E Köhler

 

Other publications of authors with the same name

Coherent exciton-vibrational dynamics and energy transfer in conjugated organics, , , , , , , , , and . Nature Communications, 9 (1): 2316-- (2018)Comment on ä minimal implementation of the AMBER-GAUSSIAN interface for Ab Initio QM/MM-MD simulation"., , , , , , and . J. Comput. Chem., 33 (19): 1643-1644 (2012)GPU-Accelerated Molecular Dynamics and Free Energy Methods in Amber18: Performance Enhancements and New Features., , , , , , , , , and . J. Chem. Inf. Model., 58 (10): 2043-2050 (2018)AmberTools., , , , , , , , , and 37 other author(s). J. Chem. Inf. Model., 63 (20): 6183-6191 (October 2023)Fitting of Dihedral Terms in Classical Force Fields as an Analytic Linear Least-Squares Problem., and . Journal of Chemical Information and Modeling, 54 (7): 1978-1986 (2014)Catalytic Mechanism of L, D-Transpeptidase 2 from Mycobacterium tuberculosis Described by a Computational Approach: Insights for the Design of New Antibiotics Drugs., , and . J. Chem. Inf. Model., 54 (9): 2402-2410 (2014)TorchANI: A Free and Open Source PyTorch-Based Deep Learning Implementation of the ANI Neural Network Potentials., , , , and . J. Chem. Inf. Model., 60 (7): 3408-3415 (2020)ANI-1, A data set of 20 million calculated off-equilibrium conformations for organic molecules, , and . Scientific Data, (December 2017)ANI-1: A data set of 20M off-equilibrium DFT calculations for organic molecules., , and . CoRR, (2017)Novel Lennard-Jones Parameters for Cysteine and Selenocysteine in the AMBER Force Field., , , , and . J. Chem. Inf. Model., 63 (2): 595-604 (January 2023)