Putin landed in New Delhi this morning on a three-day visit to participate in the BRICS summit.
The two leaders are also expected to delve into expanding the already strong defence cooperation.
Kremlin spokesperson Dmitry Peskov on Tuesday said both sides are also exploring BrahMos missile upgrades, and that Moscow remains committed to fulfilling its remaining S-400 system deliveries and discussing the proposed supply of Su-57 fighter jets.
The Russian official said the energy ties between the two countries remained robust and that both sides are looking at holding negotiations for India's plan to set up new civil nuclear reactors.
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The Ukraine conflict and roadmap to peace are expected to feature prominently in their upcoming talks.
There have been renewed efforts, including by the Trump administration in the last few days, to find a way to resolve the conflict.
Ahead of the Modi-Putin talks, sources said the two sides will also focus on reaching the ambitious trade target of USD 100 billion by 2030.
Expanding Industrial cooperation with Russia, collaboration in the rail sector and tunnelling, developing the steel value chain and broadening access to the Russian market for Indian exporters are also set to figure in the talks, they said.
The two leaders are also expected to deliberate on strengthening civil nuclear cooperation, including fuel cycle and life cycle support. Increasing mobility of Indian skilled labourers to Russia and cooperation in critical minerals are also set to be discussed, the sources said.