Manas Sharma

7PUBLICATIONS
38CO-AUTHORS
Computational complexity and computabilityElectrical circuits and systemsTheoretical quantum chemistryMetal cluster chemistrySimulation, modelling, and programming of mechatronics systems
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Publications (7)

|Sep 03, 2026
PyFock: A Just-In-Time Compiled Gaussian Basis DFT Python Code for CPU and GPU Architectures.

|Apr 13, 2026
Direct Nanoscale Mapping of Band Alignment in Single-Layer Semiconducting Lateral Heterojunctions.

Chakradhar Sahoo, Suman Kumar Chakraborty, A Kousika

|Sep 23, 2025
Density Functional Theory for Molecular and Periodic Systems in TURBOMOLE: Theory, Implementation, and Applications.

Manas Sharma, Yannick J Franzke, Christof Holzer

|Oct 17, 2024
Optical Gaps of Ionic Materials from GW/BSE-in-DFT and CC2-in-DFT.

Manas Sharma, Marek Sierka

|Jun 29, 2023
TURBOMOLE: Today and Tomorrow.

Yannick J Franzke, Christof Holzer, Josefine H Andersen

|Oct 12, 2022
Efficient Implementation of Density Functional Theory Based Embedding for Molecular and Periodic Systems Using Gaussian Basis Functions.

Manas Sharma, Marek Sierka

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Frequent Collaborators

6 joint publications

Marek Sierka

2 joint publications

Yannick J Franzke

2 joint publications

Christof Holzer

2 joint publications

Fabian Pauly