Authors: Dubey, Anusha, Pandit, Naincy, Singh, Rashmi, Joshi, Tarun Kumar, Choudhary, Banwari Lal, Kamlesh, Peeyush Kumar, Al-Qaisi, Samah, Kumar, Tanuj, Kaur, Kulwinder, Verma, Ajay Singh^{Aff9, IDs00894024058677_cor10}

Superior Title: Journal of Molecular Modeling: Computational Chemistry - Life Science - Advanced Materials - New Methods. 30(3)

Authors: Bairwa, Jitendra Kumar, Rani, Monika, Kamlesh, Peeyush Kumar, Singh, Rashmi, Rani, Upasana, Al-Qaisi, Samah, Kumar, Tanuj, Kumari, Sarita, Verma, Ajay Singh^{Aff5, IDs0089402305786z_cor9}

Superior Title: Journal of Molecular Modeling: Computational Chemistry - Life Science - Advanced Materials - New Methods. 29(12)

Authors: Pallavi, Singh, Chandravir, Kamlesh, Peeyush Kumar, Gupta, Rajeev, Verma, Ajay Singh^{Aff4, IDs12043023026279_cor5}

Superior Title: Pramana: Published by the Indian Academy of Sciences. 97(4)

Authors: Rani, Upasana, Kamlesh, Peeyush Kumar, Joshi, Tarun Kumar, Singh, Rashmi, Al-Qaisi, Samah, Gupta, Rajeev, Kumar, Tanuj, Verma, Ajay Singh^{Aff1, IDs0089402305732z_cor8}

Superior Title: Journal of Molecular Modeling: Computational Chemistry - Life Science - Advanced Materials - New Methods. 29(10)

Authors: Rani, Monika, Kamlesh, Peeyush Kumar, Kumawat, Sunil, Anuradha, Rani, Upasana, Arora, Gunjan, Verma, Ajay Singh

Superior Title: In Physica B: Condensed Matter 1 May 2024 680

Authors: Bairwa, Jitendra Kumar, Kamlesh, Peeyush Kumar, Rani, Upasana, Singh, Rashmi, Gupta, Rajeev, Kumari, Sarita, Kumar, Tanuj, Verma, Ajay Singh

Superior Title: In Materials Science for Energy Technologies 2024 7:61-72

Authors: Rani, Upasana, Kamlesh, Peeyush Kumar, Joshi, Tarun Kumar, Singh, Rashmi, Sharma, Sheetal, Gupta, Rajeev, Kumar, Tanuj, Verma, Ajay Singh

Superior Title: In Computational Condensed Matter September 2023 36

Authors: Verma, Pallavi, Singh, Chandravir, Kamlesh, Peeyush Kumar, Kaur, Kulwinder, Verma, Ajay Singh^{Aff4, IDs0089402205433z_cor5}

Superior Title: Journal of Molecular Modeling: Computational Chemistry - Life Science - Advanced Materials - New Methods. 29(1)

Authors: Kamlesh, Peeyush Kumar, Agrawal, Rohit, Rani, Upasana, Verma, Ajay Singh

Superior Title: In Materials Chemistry and Physics 1 January 2022 275

Authors: Kamlesh, Peeyush Kumar, Gautam, Ruchita, Kumari, Sarita, Verma, Ajay Singh

Superior Title: In Physica B: Condensed Matter 15 August 2021 615

Authors: Rani, Upasana, Kamlesh, Peeyush Kumar, Shukla, Akash, Verma, Ajay Singh

Superior Title: In Journal of Solid State Chemistry August 2021 300

Authors: Bairwa, Jitendra Kumar, Rani, Monika, Kamlesh, Peeyush Kumar, Singh, Rashmi, Rani, Upasana, Al-Qaisi, Samah, Kumar, Tanuj, Kumari, Sarita, Verma, Ajay Singh

Superior Title: Journal of Molecular Modeling; Dec2023, Vol. 29 Issue 12, p1-13, 13p

Subject Terms: THERMODYNAMICS, MATERIALS science, BAND gaps, DENSITY functionals, PEROVSKITE, THERMOELECTRIC materials

Authors: Rani, Upasana, Kamlesh, Peeyush Kumar, Joshi, Tarun Kumar, Sharma, Sheetal, Gupta, Rajeev, Al-Qaisi, Samah, Verma, Ajay Singh

Superior Title: Physica Scripta ; volume 98, issue 7, page 075902 ; ISSN 0031-8949 1402-4896

Availability: https://doi.org/10.1088/1402-4896/acd88a

Authors: Rani, Upasana, Kamlesh, Peeyush Kumar, Joshi, Tarun Kumar, Sharma, Sheetal, Gupta, Rajeev, Al-Qaisi, Samah, Verma, Ajay Singh

Superior Title: Physica Scripta; Jul2023, Vol. 98 Issue 7, p1-19, 19p

Authors: Rani, Upasana¹ (AUTHOR), Kamlesh, Peeyush Kumar² (AUTHOR), Singh, Rashmi³ (AUTHOR), Kumar, Tanuj⁴ (AUTHOR), Gupta, Rajeev⁵ (AUTHOR), Al-Qaisi, Samah⁶ (AUTHOR), Kaur, Kulwinder⁷ (AUTHOR), Verma, Ajay Singh¹ (AUTHOR) ajay_phy@rediffmail.com

Superior Title: Modern Physics Letters B. 6/21/2023, Vol. 38 Issue 18, p1-15. 15p.

Subject Terms: *ENERGY conversion, *WASTE heat, *PEROVSKITE, *CLEAN energy, *PLANE wavefronts, *ELECTRICAL energy, *BISMUTH telluride

Authors: Kumari, Sunita¹ (AUTHOR), Kamlesh, Peeyush Kumar² (AUTHOR), Kumari, Lalit³ (AUTHOR), Kumar, Sudhir³ (AUTHOR), Kumari, Sarita¹ (AUTHOR), Singh, Rashmi⁴ (AUTHOR), Gupta, Rajeev⁵ (AUTHOR), Chauhan, Manendra S.⁶ (AUTHOR), Rani, Upasana⁷ (AUTHOR), Verma, Ajay Singh^7,8 (AUTHOR) ajay_phy@rediffmail.com

Superior Title: Journal of Molecular Modeling. Jun2023, Vol. 29 Issue 6, p1-16. 16p.

Subject Terms: *THERMOELECTRIC apparatus & appliances, *SEEBECK coefficient, *ELECTRIC conductivity, *PEROVSKITE, *BAND gaps, *THERMOELECTRIC materials

Authors: Rani, Upasana, Kamlesh, Peeyush Kumar, Agrawal, Rohit, Shukla, Akash, Singh Verma, Ajay

Superior Title: Energy Technology ; volume 10, issue 9 ; ISSN 2194-4288 2194-4296

Availability: https://doi.org/10.1002/ente.202200002

Authors: Rani, Upasana, Kamlesh, Peeyush Kumar, Agrawal, Rohit, Shukla, Akash, Singh Verma, Ajay

Superior Title: Energy Technology; Sep2022, Vol. 10 Issue 9, p1-9, 9p

Subject Terms: ENERGY conversion, POTENTIAL energy, PEROVSKITE, ELECTRICITY, THERMAL stability, THERMOELECTRIC materials, PIEZOELECTRIC ceramics

Authors: Rani, Upasana, Kamlesh, Peeyush Kumar, Agarwal, Rohit, Kumari, Jyoti, Verma, Ajay Singh

Superior Title: International Journal of Quantum Chemistry ; volume 121, issue 19 ; ISSN 0020-7608 1097-461X

Availability: https://doi.org/10.1002/qua.26759

Authors: Kamlesh, Peeyush Kumar, Agarwal, Rohit, Rani, Upasana, Verma, Ajay Singh

Superior Title: Physica Scripta ; volume 96, issue 11, page 115802 ; ISSN 0031-8949 1402-4896

Availability: https://doi.org/10.1088/1402-4896/ac119d